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

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylsulfanyl]-6-(4-bromophenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile Openeye Name: 2-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylsulfanyl]-6-(4-bromophenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile CAS Name: 2-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylthio]-6-(4-bromophenyl)-4-(4-methoxyphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylsulfanyl]-6-(4-bromophenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile Traditional Name: 2-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylthio]-6-(4-bromophenyl)-4-(4-methoxyphenyl)nicotinonitrile Formula: C28H20BrN3O3S3 MolecularWeight: 622.5757

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCS(=O)(=O)C3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCS(=O)(=O)C3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)Br

InChI

InChI=1S/C28H20BrN3O3S3/c1-35-21-12-8-18(9-13-21)22-16-25(19-6-10-20(29)11-7-19)31-27(23(22)17-30)36-14-15-38(33,34)28-32-24-4-2-3-5-26(24)37-28/h2-13,16H,14-15H2,1H3