2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylbutyl)propanamide

Systemtic Name: 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylbutyl)propanamide Openeye Name: 2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylbutyl)propanamide CAS Name: 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-(1-phenylbutyl)propanamide IUPAC Name: 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylbutyl)propanamide Traditional Name: 2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(1-phenylbutyl)propionamide Formula: C20H24N4OS2 MolecularWeight: 400.56076

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)SC2=NN=C(N2C)C3=CC=CS3

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)C(C)SC2=NN=C(N2C)C3=CC=CS3

InChI

InChI=1S/C20H24N4OS2/c1-4-9-16(15-10-6-5-7-11-15)21-19(25)14(2)27-20-23-22-18(24(20)3)17-12-8-13-26-17/h5-8,10-14,16H,4,9H2,1-3H3,(H,21,25)