2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C19H18N6O4S MolecularWeight: 426.44902

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O4S/c1-12(26)20-14-8-6-13(7-9-14)18-22-23-19(24(18)2)30-11-17(27)21-15-4-3-5-16(10-15)25(28)29/h3-10H,11H2,1-2H3,(H,20,26)(H,21,27)