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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)-2-phenyl-ethanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-N-(p-tolyl)acetamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(4-methylphenyl)-2-phenylacetamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)-2-phenylacetamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-2-phenyl-N-(p-tolyl)acetamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3N)C4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3N)C4CCCCC4

InChI

InChI=1S/C23H27N5OS/c1-16-12-14-19(15-13-16)25-22(29)20(17-8-4-2-5-9-17)30-23-27-26-21(28(23)24)18-10-6-3-7-11-18/h2,4-5,8-9,12-15,18,20H,3,6-7,10-11,24H2,1H3,(H,25,29)