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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide Formula: C23H26N6O3S MolecularWeight: 466.55594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3N)C4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3N)C4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H26N6O3S/c1-15-12-13-18(19(14-15)29(31)32)25-22(30)20(16-8-4-2-5-9-16)33-23-27-26-21(28(23)24)17-10-6-3-7-11-17/h2,4-5,8-9,12-14,17,20H,3,6-7,10-11,24H2,1H3,(H,25,30)