4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[2-(phenylmethyl)phenyl]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19N5O3S/c1-27-15-24-26-23(27)32-21-12-11-18(14-20(21)28(30)31)22(29)25-19-10-6-5-9-17(19)13-16-7-3-2-4-8-16/h2-12,14-15H,13H2,1H3,(H,25,29)