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

Systemtic Name: 2-chloranyl-4-(5-oxidanylidene-2,4-diphenyl-3-thiophen-2-yl-1,2,4-triazolidin-1-yl)quinoline-3-carbonitrile Openeye Name: 2-chloro-4-[5-oxo-2,4-diphenyl-3-(2-thienyl)-1,2,4-triazolidin-1-yl]quinoline-3-carbonitrile CAS Name: 2-chloro-4-(5-oxo-2,4-diphenyl-3-thiophen-2-yl-1,2,4-triazolidin-1-yl)-3-quinolinecarbonitrile IUPAC Name: 2-chloro-4-(5-oxo-2,4-diphenyl-3-thiophen-2-yl-1,2,4-triazolidin-1-yl)quinoline-3-carbonitrile Traditional Name: 2-chloro-4-[5-keto-2,4-diphenyl-3-(2-thienyl)-1,2,4-triazolidin-1-yl]quinoline-3-carbonitrile Formula: C28H18ClN5OS MolecularWeight: 507.99342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(N(N(C2=O)C3=C(C(=NC4=CC=CC=C43)Cl)C#N)C5=CC=CC=C5)C6=CC=CS6

Isomeric SMILES

C1=CC=C(C=C1)N2C(N(N(C2=O)C3=C(C(=NC4=CC=CC=C43)Cl)C#N)C5=CC=CC=C5)C6=CC=CS6

InChI

InChI=1S/C28H18ClN5OS/c29-26-22(18-30)25(21-14-7-8-15-23(21)31-26)34-28(35)32(19-10-3-1-4-11-19)27(24-16-9-17-36-24)33(34)20-12-5-2-6-13-20/h1-17,27H