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

Systemtic Name: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-methoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C20H20N6O5S MolecularWeight: 456.475

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6O5S/c1-12(27)21-14-6-4-5-13(9-14)19-23-24-20(25(19)2)32-11-18(28)22-16-8-7-15(31-3)10-17(16)26(29)30/h4-10H,11H2,1-3H3,(H,21,27)(H,22,28)