N-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-3-nitro-benzamide

Systemtic Name: N-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-3-nitro-benzamide Openeye Name: N-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-nitro-benzamide CAS Name: N-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-nitrobenzamide Traditional Name: N-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetyl]-3-nitro-benzamide Formula: C23H17N5O4S MolecularWeight: 459.47718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17N5O4S/c29-20(24-22(30)17-10-7-13-19(14-17)28(31)32)15-33-23-26-25-21(16-8-3-1-4-9-16)27(23)18-11-5-2-6-12-18/h1-14H,15H2,(H,24,29,30)