N-(1-cyano-1-cyclopropyl-ethyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1-cyano-1-cyclopropylethyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-cyano-1-cyclopropylethyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CSC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CC(C#N)(C1CC1)NC(=O)CSC2=NN=CN2C3=CC=CC=C3

InChI

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