N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(phenylthio)nicotinamide Formula: C20H19N3OS2 MolecularWeight: 381.51436

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=N2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)SC(=N2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C20H19N3OS2/c1-13-9-10-16-17(12-13)26-20(22-16)23-18(24)15-8-5-11-21-19(15)25-14-6-3-2-4-7-14/h2-8,11,13H,9-10,12H2,1H3,(H,22,23,24)