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

Systemtic Name: N-(1-cyanocycloheptyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-cyanocycloheptyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1-cyanocycloheptyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-cyanocycloheptyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-cyanocycloheptyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#N)NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3

Isomeric SMILES

C1CCCC(CC1)(C#N)NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H21N5OS/c19-13-18(10-6-1-2-7-11-18)21-16(24)12-25-17-20-14-23(22-17)15-8-4-3-5-9-15/h3-5,8-9,14H,1-2,6-7,10-12H2,(H,21,24)