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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2,3-dimethylphenyl)propanamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2,3-dimethylphenyl)propionamide Formula: C19H27N5OS MolecularWeight: 373.51558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C(C)SC2=NN=C(N2N)C3CCCCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C(C)SC2=NN=C(N2N)C3CCCCC3)C

InChI

InChI=1S/C19H27N5OS/c1-12-8-7-11-16(13(12)2)21-18(25)14(3)26-19-23-22-17(24(19)20)15-9-5-4-6-10-15/h7-8,11,14-15H,4-6,9-10,20H2,1-3H3,(H,21,25)