N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(3,4-dimethylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3,4-dimethylphenyl)thio]nicotinamide Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H18N2O3S/c1-13-5-7-16(10-14(13)2)27-21-17(4-3-9-22-21)20(24)23-15-6-8-18-19(11-15)26-12-25-18/h3-11H,12H2,1-2H3,(H,23,24)