(2R)-N-(1-cyanocyclohexyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-propanamide

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-propanamide Openeye Name: (2R)-N-(1-cyanocyclohexyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-methylpropanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide Traditional Name: (2R)-N-(1-cyanocyclohexyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-methyl-propionamide Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)N(C)C2(CCCCC2)C#N)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1S[C@H](C)C(=O)N(C)C2(CCCCC2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H27N5OS/c1-4-26-18(17-11-7-5-8-12-17)23-24-20(26)28-16(2)19(27)25(3)21(15-22)13-9-6-10-14-21/h5,7-8,11-12,16H,4,6,9-10,13-14H2,1-3H3/t16-/m1/s1