N-[3-[3-(2-cyanoethylsulfanyl)-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]ethanamide

Systemtic Name: N-[3-[3-(2-cyanoethylsulfanyl)-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]ethanamide Openeye Name: N-[3-[3-(2-cyanoethylsulfanyl)-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide CAS Name: N-[3-[3-(2-cyanoethylthio)-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide IUPAC Name: N-[3-[3-(2-cyanoethylsulfanyl)-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide Traditional Name: N-[3-[3-(2-cyanoethylthio)-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCCC#N)C3CC3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCCC#N)C3CC3

InChI

InChI=1S/C16H17N5OS/c1-11(22)18-13-4-2-5-14(10-13)21-15(12-6-7-12)19-20-16(21)23-9-3-8-17/h2,4-5,10,12H,3,6-7,9H2,1H3,(H,18,22)