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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H23N5OS/c21-14-20(11-5-2-6-12-20)23-17(26)13-27-19-22-18(15-9-10-15)25(24-19)16-7-3-1-4-8-16/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,23,26)