2-[[4-azanyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(m-tolyl)acetamide CAS Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]thio]-N-(m-tolyl)acetamide Formula: C19H27N5OS MolecularWeight: 373.51558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N)CCC3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N)CCC3CCCCC3

InChI

InChI=1S/C19H27N5OS/c1-14-6-5-9-16(12-14)21-18(25)13-26-19-23-22-17(24(19)20)11-10-15-7-3-2-4-8-15/h5-6,9,12,15H,2-4,7-8,10-11,13,20H2,1H3,(H,21,25)