N-(cyanomethyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-ethanamide

Systemtic Name: N-(cyanomethyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N-phenyl-acetamide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC(=O)N(CC#N)C4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC(=O)N(CC#N)C4=CC=CC=C4

InChI

InChI=1S/C18H19N5OS/c19-10-11-22(14-4-2-1-3-5-14)16(24)12-25-18-21-20-17(13-6-7-13)23(18)15-8-9-15/h1-5,13,15H,6-9,11-12H2