N-(2-methylcyclohexyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(2-methylcyclohexyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)propanamide CAS Name: N-(2-methylcyclohexyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)propanamide Traditional Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(2-methylcyclohexyl)propionamide Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)SC2=NN=C(N2CC3=CC=CC=C3)C

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)SC2=NN=C(N2CC3=CC=CC=C3)C

InChI

InChI=1S/C20H28N4OS/c1-14-9-7-8-12-18(14)21-19(25)15(2)26-20-23-22-16(3)24(20)13-17-10-5-4-6-11-17/h4-6,10-11,14-15,18H,7-9,12-13H2,1-3H3,(H,21,25)