2-{[5-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide

2-{[5-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide

Formula: C18H20N4OS

SMILES: CC(C)CC1=NN=C(N1)SCC(=O)NC1=CC=CC2=CC=CC=C12

IUPAC: 2-{[5-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide

InChI: InChI=1S/C18H20N4OS/c1-12(2)10-16-20-18(22-21-16)24-11-17(23)19-15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12H,10-11H2,1-2H3,(H,19,23)(H,20,21,22)

Composition: C (63.50%), H (5.92%), N (16.46%), O (4.70%), S (9.42%)

Molar Mass: 340.45

Atom Count: 44

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	340.135782454
Formal Charge	0
FSP3	0.28
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	GZTPGYSNIUUMEO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.64
Topological Polar Surface Area	70.67
Polarizability	38.61
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H20N4OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00