N-(4-methyl-3-nitro-phenyl)-2-[[2-(3-methylphenyl)carbonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-2-[[2-(3-methylphenyl)carbonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[2-(3-methylbenzoyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)acetamide CAS Name: N-(4-methyl-3-nitrophenyl)-2-[[2-[(3-methylphenyl)-oxomethyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[2-(3-methylbenzoyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: N-(4-methyl-3-nitro-phenyl)-2-[[2-m-toluoyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C24H20N6O4S MolecularWeight: 488.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=NN2C(=O)C3=CC(=CC=C3)C)C4=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=NN2C(=O)C3=CC(=CC=C3)C)C4=CC=NC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H20N6O4S/c1-15-4-3-5-18(12-15)23(32)29-24(27-22(28-29)17-8-10-25-11-9-17)35-14-21(31)26-19-7-6-16(2)20(13-19)30(33)34/h3-13H,14H2,1-2H3,(H,26,31)