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

Systemtic Name: 3-nitro-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Openeye Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-nitro-benzamide CAS Name: 3-nitro-4-[[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzamide IUPAC Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-3-nitro-benzamide Formula: C23H19N5O3S MolecularWeight: 445.49366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C23H19N5O3S/c24-22(29)17-11-12-18(20(14-17)28(30)31)15-32-23-26-25-21(13-16-7-3-1-4-8-16)27(23)19-9-5-2-6-10-19/h1-12,14H,13,15H2,(H2,24,29)