(4-phenylphenyl)methyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: (4-phenylphenyl)methyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate Openeye Name: (4-phenylphenyl)methyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzoic acid (4-phenylphenyl)methyl ester IUPAC Name: (4-phenylphenyl)methyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzoic acid (4-phenylbenzyl) ester Formula: C23H18N4O4S MolecularWeight: 446.47842

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O4S/c1-26-15-24-25-23(26)32-21-12-11-19(13-20(21)27(29)30)22(28)31-14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-13,15H,14H2,1H3