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

Systemtic Name: N-[3-[3-(1-cyanoethylsulfanyl)-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]ethanamide Openeye Name: N-[3-[3-(1-cyanoethylsulfanyl)-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide CAS Name: N-[3-[3-(1-cyanoethylthio)-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide IUPAC Name: N-[3-[3-(1-cyanoethylsulfanyl)-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide Traditional Name: N-[3-[3-(1-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(C#N)SC1=NN=C(N1C2=CC(=CC=C2)NC(=O)C)C3CC3

Isomeric SMILES

CC(C#N)SC1=NN=C(N1C2=CC(=CC=C2)NC(=O)C)C3CC3

InChI

InChI=1S/C16H17N5OS/c1-10(9-17)23-16-20-19-15(12-6-7-12)21(16)14-5-3-4-13(8-14)18-11(2)22/h3-5,8,10,12H,6-7H2,1-2H3,(H,18,22)