N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H17N5O2S2 MolecularWeight: 399.48988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C18H17N5O2S2/c1-25-14-7-3-2-6-13(14)23(10-5-9-19)16(24)12-27-18-20-17(21-22-18)15-8-4-11-26-15/h2-4,6-8,11H,5,10,12H2,1H3,(H,20,21,22)