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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CSC2=NN=CN2C3=CC(=CC=C3)NC(=O)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CSC2=NN=CN2C3=CC(=CC=C3)NC(=O)C

InChI

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