2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanophenyl)propanamide

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanophenyl)propanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanophenyl)propanamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2-cyanophenyl)propanamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanophenyl)propanamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2-cyanophenyl)propionamide Formula: C18H22N6OS MolecularWeight: 370.47188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NN=C(N2N)C3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NN=C(N2N)C3CCCCC3

InChI

InChI=1S/C18H22N6OS/c1-12(17(25)21-15-10-6-5-9-14(15)11-19)26-18-23-22-16(24(18)20)13-7-3-2-4-8-13/h5-6,9-10,12-13H,2-4,7-8,20H2,1H3,(H,21,25)