N-(2-cyanoethyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-propanamide

Systemtic Name: N-(2-cyanoethyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-propanamide Openeye Name: N-(2-cyanoethyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-propanamide CAS Name: N-(2-cyanoethyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-phenylpropanamide IUPAC Name: N-(2-cyanoethyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide Traditional Name: N-(2-cyanoethyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-phenyl-propionamide Formula: C26H23N5OS MolecularWeight: 453.55872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H23N5OS/c1-20(25(32)30(19-11-18-27)22-14-7-3-8-15-22)33-26-29-28-24(21-12-5-2-6-13-21)31(26)23-16-9-4-10-17-23/h2-10,12-17,20H,11,19H2,1H3