2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-4,6-diphenyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-4,6-diphenylpyridine-3-carbonitrile Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-4,6-diphenyl-nicotinonitrile Formula: C27H18N2O3S MolecularWeight: 450.50842

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C27H18N2O3S/c28-15-22-21(18-7-3-1-4-8-18)14-23(19-9-5-2-6-10-19)29-27(22)33-16-24(30)20-11-12-25-26(13-20)32-17-31-25/h1-14H,16-17H2