N-(4-methylsulfanylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-(4-methylsulfanylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-(4-methylsulfanylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[4-(methylthio)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-(4-methylsulfanylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[4-(methylthio)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O3S/c1-25-13-5-3-12(4-6-13)19-16(22)11-2-7-14(15(8-11)21(23)24)20-10-17-9-18-20/h2-10H,1H3,(H,19,22)