2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dithiophen-2-yl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dithiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4,6-bis(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4,6-dithiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4,6-dithiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4,6-bis(2-thienyl)nicotinonitrile Formula: C22H13BrN2OS3 MolecularWeight: 497.45042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)Br)C4=CC=CS4

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)Br)C4=CC=CS4

InChI

InChI=1S/C22H13BrN2OS3/c23-15-7-5-14(6-8-15)19(26)13-29-22-17(12-24)16(20-3-1-9-27-20)11-18(25-22)21-4-2-10-28-21/h1-11H,13H2