2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C23H15ClN4O2S MolecularWeight: 446.9088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H15ClN4O2S/c24-16-12-10-15(11-13-16)20-25-26-23(28(20)17-6-2-1-3-7-17)31-14-27-21(29)18-8-4-5-9-19(18)22(27)30/h1-13H,14H2