3-nitro-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide

Systemtic Name: 3-nitro-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Openeye Name: 3-nitro-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide CAS Name: 3-nitro-4-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzamide IUPAC Name: 3-nitro-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Traditional Name: 3-nitro-4-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzamide Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O3S/c17-14(22)11-6-7-12(13(8-11)21(23)24)9-25-16-18-15(19-20-16)10-4-2-1-3-5-10/h1-8H,9H2,(H2,17,22)(H,18,19,20)