Text Search
Structure Search

N-(4-methylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(4-methylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

Formula: C17H16N4OS

SMILES: CC1=CC=C(NC(=O)CSC2=NNC(=N2)C2=CC=CC=C2)C=C1

IUPAC: N-(4-methylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

InChI: InChI=1S/C17H16N4OS/c1-12-7-9-14(10-8-12)18-15(22)11-23-17-19-16(20-21-17)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,22)(H,19,20,21)

Composition: C (62.94%), H (4.97%), N (17.27%), O (4.93%), S (9.88%)

Molar Mass: 324.4

Atom Count: 39

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 324.104482325
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey CHDHODOILUJRNS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 106.28
Topological Polar Surface Area 70.67
Polarizability 35.84
Ring Count 3
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H16N4OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote