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

Systemtic Name: N-(4-methyl-2-oxidanyl-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(2-hydroxy-4-methyl-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-(2-hydroxy-4-methylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-(2-hydroxy-4-methylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(2-hydroxy-4-methyl-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C17H15N5O4S MolecularWeight: 385.3971

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-])O

InChI

InChI=1S/C17H15N5O4S/c1-10-3-5-12(14(23)7-10)19-16(24)11-4-6-15(13(8-11)22(25)26)27-17-20-18-9-21(17)2/h3-9,23H,1-2H3,(H,19,24)