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

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(4-phenylmethoxyphenyl)benzamide Openeye Name: N-(4-benzyloxyphenyl)-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-(4-phenylmethoxyphenyl)benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(4-phenylmethoxyphenyl)benzamide Traditional Name: N-(4-benzoxyphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C23H19N5O4S MolecularWeight: 461.49306

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19N5O4S/c1-27-15-24-26-23(27)33-21-12-7-17(13-20(21)28(30)31)22(29)25-18-8-10-19(11-9-18)32-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,25,29)