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

Systemtic Name: 2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanoethyl)-N-(2-methoxyphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide CAS Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide IUPAC Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide Traditional Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide Formula: C18H18N6O2S2 MolecularWeight: 414.50452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NN=C(N2N)C3=CC=CS3

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NN=C(N2N)C3=CC=CS3

InChI

InChI=1S/C18H18N6O2S2/c1-26-14-7-3-2-6-13(14)23(10-5-9-19)16(25)12-28-18-22-21-17(24(18)20)15-8-4-11-27-15/h2-4,6-8,11H,5,10,12,20H2,1H3