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

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

Formula: C15H17N5OS

SMILES: CCCCC1=NN=C(N1)SCC(=O)NC1=CC=CC=C1C#N

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

InChI: InChI=1S/C15H17N5OS/c1-2-3-8-13-18-15(20-19-13)22-10-14(21)17-12-7-5-4-6-11(12)9-16/h4-7H,2-3,8,10H2,1H3,(H,17,21)(H,18,19,20)

Composition: C (57.12%), H (5.43%), N (22.21%), O (5.07%), S (10.17%)

Molar Mass: 315.4

Atom Count: 39

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	315.115381361
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	WGGHDLGJYOFBMX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.96
Topological Polar Surface Area	94.46
Polarizability	32.94
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H17N5OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00