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

Systemtic Name: 4-nitro-N-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]benzamide Openeye Name: N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-4-nitro-benzamide CAS Name: 4-nitro-N-[3-(phenylmethylthio)-1H-1,2,4-triazol-5-yl]benzamide IUPAC Name: N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-4-nitrobenzamide Traditional Name: N-[3-(benzylthio)-1H-1,2,4-triazol-5-yl]-4-nitro-benzamide Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O3S/c22-14(12-6-8-13(9-7-12)21(23)24)17-15-18-16(20-19-15)25-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,18,19,20,22)