2-chloranyl-3-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-quinoline

Systemtic Name: 2-chloranyl-3-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-quinoline Openeye Name: 2-chloro-3-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-quinoline CAS Name: 2-chloro-3-[[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-7-methoxyquinoline IUPAC Name: 2-chloro-3-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxyquinoline Traditional Name: 2-chloro-3-[[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-quinoline Formula: C27H23ClN4OS MolecularWeight: 487.01572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=C(N=C4C=C(C=CC4=C3)OC)Cl)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=C(N=C4C=C(C=CC4=C3)OC)Cl)C5=CC=CC=C5)C

InChI

InChI=1S/C27H23ClN4OS/c1-17-9-11-22(13-18(17)2)32-26(19-7-5-4-6-8-19)30-31-27(32)34-16-21-14-20-10-12-23(33-3)15-24(20)29-25(21)28/h4-15H,16H2,1-3H3