N-butyl-2-(2,5-dimethylphenyl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-butyl-2-(2,5-dimethylphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-butyl-2-(2,5-dimethylphenyl)sulfanyl-pyridine-3-carboxamide CAS Name: N-butyl-2-[(2,5-dimethylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-butyl-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-butyl-2-[(2,5-dimethylphenyl)thio]nicotinamide Formula: C18H22N2OS MolecularWeight: 314.44508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(N=CC=C1)SC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCCCNC(=O)C1=C(N=CC=C1)SC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C18H22N2OS/c1-4-5-10-19-17(21)15-7-6-11-20-18(15)22-16-12-13(2)8-9-14(16)3/h6-9,11-12H,4-5,10H2,1-3H3,(H,19,21)