2-chloranyl-4-(5-oxidanylidene-2,3,4-triphenyl-1,2,4-triazolidin-1-yl)quinoline-3-carbonitrile

Systemtic Name: 2-chloranyl-4-(5-oxidanylidene-2,3,4-triphenyl-1,2,4-triazolidin-1-yl)quinoline-3-carbonitrile Openeye Name: 2-chloro-4-(5-oxo-2,3,4-triphenyl-1,2,4-triazolidin-1-yl)quinoline-3-carbonitrile CAS Name: 2-chloro-4-(5-oxo-2,3,4-triphenyl-1,2,4-triazolidin-1-yl)-3-quinolinecarbonitrile IUPAC Name: 2-chloro-4-(5-oxo-2,3,4-triphenyl-1,2,4-triazolidin-1-yl)quinoline-3-carbonitrile Traditional Name: 2-chloro-4-(5-keto-2,3,4-triphenyl-1,2,4-triazolidin-1-yl)quinoline-3-carbonitrile Formula: C30H20ClN5O MolecularWeight: 501.9657

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Descriptors Computed from Structure

Canonical SMILES:

C1=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

C1=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/C30H20ClN5O/c31-28-25(20-32)27(24-18-10-11-19-26(24)33-28)36-30(37)34(22-14-6-2-7-15-22)29(21-12-4-1-5-13-21)35(36)23-16-8-3-9-17-23/h1-19,29H