2-[(4-propan-2-ylphenyl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: 2-[(4-propan-2-ylphenyl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: 2-[(4-isopropylphenyl)methylsulfanyl]pyridine-3-carboxamide CAS Name: 2-[(4-propan-2-ylphenyl)methylthio]-3-pyridinecarboxamide IUPAC Name: 2-[(4-propan-2-ylphenyl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: 2-[(4-isopropylbenzyl)thio]nicotinamide Formula: C16H18N2OS MolecularWeight: 286.39192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC2=C(C=CC=N2)C(=O)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC2=C(C=CC=N2)C(=O)N

InChI

InChI=1S/C16H18N2OS/c1-11(2)13-7-5-12(6-8-13)10-20-16-14(15(17)19)4-3-9-18-16/h3-9,11H,10H2,1-2H3,(H2,17,19)