N-(3-acetamido-4-methoxy-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(3-acetamido-4-methoxy-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(3-acetamido-4-methoxy-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-(3-acetamido-4-methoxyphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-(3-acetamido-4-methoxyphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(3-acetamido-4-methoxy-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C19H18N6O5S MolecularWeight: 442.44842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-])OC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-])OC

InChI

InChI=1S/C19H18N6O5S/c1-11(26)21-14-9-13(5-6-16(14)30-3)22-18(27)12-4-7-17(15(8-12)25(28)29)31-19-23-20-10-24(19)2/h4-10H,1-3H3,(H,21,26)(H,22,27)