2-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylsulfanyl]-4-phenyl-6-thiophen-2-yl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylsulfanyl]-4-phenyl-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylsulfanyl]-4-phenyl-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylthio]-4-phenyl-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylsulfanyl]-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylthio]-4-phenyl-6-(2-thienyl)nicotinonitrile Formula: C25H17N3O2S4 MolecularWeight: 519.68138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCS(=O)(=O)C3=NC4=CC=CC=C4S3)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCS(=O)(=O)C3=NC4=CC=CC=C4S3)C5=CC=CS5

InChI

InChI=1S/C25H17N3O2S4/c26-16-19-18(17-7-2-1-3-8-17)15-21(22-11-6-12-31-22)27-24(19)32-13-14-34(29,30)25-28-20-9-4-5-10-23(20)33-25/h1-12,15H,13-14H2