3-[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]thio]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridyl]thio]-N-(6-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C31H26N4O3S2 MolecularWeight: 566.69314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=C(C=CC(=C5)OC)OC)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=C(C=CC(=C5)OC)OC)C#N

InChI

InChI=1S/C31H26N4O3S2/c1-19-9-11-25-28(15-19)40-31(34-25)35-29(36)13-14-39-30-24(18-32)22(17-26(33-30)20-7-5-4-6-8-20)23-16-21(37-2)10-12-27(23)38-3/h4-12,15-17H,13-14H2,1-3H3,(H,34,35,36)