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

Systemtic Name: 2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanoethyl)-N-(4-methylphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-(p-tolyl)acetamide CAS Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide IUPAC Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(2-cyanoethyl)-N-(p-tolyl)acetamide Formula: C18H18N6OS2 MolecularWeight: 398.50512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NN=C(N2N)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NN=C(N2N)C3=CC=CS3

InChI

InChI=1S/C18H18N6OS2/c1-13-5-7-14(8-6-13)23(10-3-9-19)16(25)12-27-18-22-21-17(24(18)20)15-4-2-11-26-15/h2,4-8,11H,3,10,12,20H2,1H3