(6-methylpyridin-3-yl)-(1,4-thiazepan-4-yl)methanone

Systemtic Name: (6-methylpyridin-3-yl)-(1,4-thiazepan-4-yl)methanone Openeye Name: (6-methyl-3-pyridyl)-(1,4-thiazepan-4-yl)methanone CAS Name: (6-methyl-3-pyridinyl)-(1,4-thiazepan-4-yl)methanone IUPAC Name: (6-methylpyridin-3-yl)-(1,4-thiazepan-4-yl)methanone Traditional Name: (6-methyl-3-pyridyl)-(1,4-thiazepan-4-yl)methanone Formula: C12H16N2OS MolecularWeight: 236.33324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)N2CCCSCC2

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)N2CCCSCC2

InChI

InChI=1S/C12H16N2OS/c1-10-3-4-11(9-13-10)12(15)14-5-2-7-16-8-6-14/h3-4,9H,2,5-8H2,1H3