2-(3,4-dimethylphenyl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)-3-pyridinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)nicotinamide Formula: C22H19N3OS2 MolecularWeight: 405.53576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N=CC=C3)SC4=CC(=C(C=C4)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N=CC=C3)SC4=CC(=C(C=C4)C)C

InChI

InChI=1S/C22H19N3OS2/c1-13-6-9-18-19(11-13)28-22(24-18)25-20(26)17-5-4-10-23-21(17)27-16-8-7-14(2)15(3)12-16/h4-12H,1-3H3,(H,24,25,26)