6-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylsulfanyl]-5-cyano-2-methyl-N,4-diphenyl-pyridine-3-carboxamide

Systemtic Name: 6-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylsulfanyl]-5-cyano-2-methyl-N,4-diphenyl-pyridine-3-carboxamide Openeye Name: 6-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylsulfanyl]-5-cyano-2-methyl-N,4-diphenyl-pyridine-3-carboxamide CAS Name: 6-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylthio]-5-cyano-2-methyl-N,4-diphenyl-3-pyridinecarboxamide IUPAC Name: 6-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylsulfanyl]-5-cyano-2-methyl-N,4-diphenylpyridine-3-carboxamide Traditional Name: 6-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylthio]-5-cyano-2-methyl-N,4-diphenyl-nicotinamide Formula: C29H22N4O3S3 MolecularWeight: 570.70498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)SCCS(=O)(=O)C2=NC3=CC=CC=C3S2)C#N)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=C(C(=N1)SCCS(=O)(=O)C2=NC3=CC=CC=C3S2)C#N)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C29H22N4O3S3/c1-19-25(27(34)32-21-12-6-3-7-13-21)26(20-10-4-2-5-11-20)22(18-30)28(31-19)37-16-17-39(35,36)29-33-23-14-8-9-15-24(23)38-29/h2-15H,16-17H2,1H3,(H,32,34)