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

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylsulfanyl]-6-(4-methoxyphenyl)-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylsulfanyl]-6-(4-methoxyphenyl)-4-phenyl-pyridine-3-carbonitrile CAS Name: 2-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylthio]-6-(4-methoxyphenyl)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylsulfanyl]-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylthio]-6-(4-methoxyphenyl)-4-phenyl-nicotinonitrile Formula: C28H21N3O3S3 MolecularWeight: 543.67964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C28H21N3O3S3/c1-34-21-13-11-20(12-14-21)25-17-22(19-7-3-2-4-8-19)23(18-29)27(30-25)35-15-16-37(32,33)28-31-24-9-5-6-10-26(24)36-28/h2-14,17H,15-16H2,1H3