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

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylsulfanyl]-6-(4-methylphenyl)-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylsulfanyl]-4-phenyl-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 2-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylthio]-6-(4-methylphenyl)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylsulfanyl]-6-(4-methylphenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylthio]-4-phenyl-6-(p-tolyl)nicotinonitrile Formula: C28H21N3O2S3 MolecularWeight: 527.68024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCCS(=O)(=O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCCS(=O)(=O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C28H21N3O2S3/c1-19-11-13-21(14-12-19)25-17-22(20-7-3-2-4-8-20)23(18-29)27(30-25)34-15-16-36(32,33)28-31-24-9-5-6-10-26(24)35-28/h2-14,17H,15-16H2,1H3