2-chloranyl-4-[3-(4-methoxyphenyl)-5-oxidanylidene-2,4-diphenyl-1,2,4-triazolidin-1-yl]quinoline-3-carbonitrile

Systemtic Name: 2-chloranyl-4-[3-(4-methoxyphenyl)-5-oxidanylidene-2,4-diphenyl-1,2,4-triazolidin-1-yl]quinoline-3-carbonitrile Openeye Name: 2-chloro-4-[3-(4-methoxyphenyl)-5-oxo-2,4-diphenyl-1,2,4-triazolidin-1-yl]quinoline-3-carbonitrile CAS Name: 2-chloro-4-[3-(4-methoxyphenyl)-5-oxo-2,4-diphenyl-1,2,4-triazolidin-1-yl]-3-quinolinecarbonitrile IUPAC Name: 2-chloro-4-[3-(4-methoxyphenyl)-5-oxo-2,4-diphenyl-1,2,4-triazolidin-1-yl]quinoline-3-carbonitrile Traditional Name: 2-chloro-4-[5-keto-3-(4-methoxyphenyl)-2,4-diphenyl-1,2,4-triazolidin-1-yl]quinoline-3-carbonitrile Formula: C31H22ClN5O2 MolecularWeight: 531.99168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2N(C(=O)N(N2C3=CC=CC=C3)C4=C(C(=NC5=CC=CC=C54)Cl)C#N)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)C2N(C(=O)N(N2C3=CC=CC=C3)C4=C(C(=NC5=CC=CC=C54)Cl)C#N)C6=CC=CC=C6

InChI

InChI=1S/C31H22ClN5O2/c1-39-24-18-16-21(17-19-24)30-35(22-10-4-2-5-11-22)31(38)37(36(30)23-12-6-3-7-13-23)28-25-14-8-9-15-27(25)34-29(32)26(28)20-33/h2-19,30H,1H3