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

Systemtic Name: [4-(4-cyanophenyl)phenyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 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-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 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-(4-cyanophenyl)phenyl] ester Formula: C23H15N5O4S MolecularWeight: 457.4613

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C23H15N5O4S/c1-27-14-25-26-23(27)33-21-11-8-18(12-20(21)28(30)31)22(29)32-19-9-6-17(7-10-19)16-4-2-15(13-24)3-5-16/h2-12,14H,1H3