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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)N)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C23H27N5OS/c1-16-14-18(24)12-13-20(16)25-21(29)15-30-23-27-26-22(17-8-4-2-5-9-17)28(23)19-10-6-3-7-11-19/h3,6-7,10-14,17H,2,4-5,8-9,15,24H2,1H3,(H,25,29)