3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazepan-4-one

Systemtic Name: 3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazepan-4-one Openeye Name: 3-(o-tolyl)-2-thioxo-1,3-thiazepan-4-one CAS Name: 3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazepan-4-one IUPAC Name: 3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazepan-4-one Traditional Name: 3-(o-tolyl)-2-thioxo-1,3-thiazepan-4-one Formula: C12H13NOS2 MolecularWeight: 251.36772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)CCCSC2=S

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)CCCSC2=S

InChI

InChI=1S/C12H13NOS2/c1-9-5-2-3-6-10(9)13-11(14)7-4-8-16-12(13)15/h2-3,5-6H,4,7-8H2,1H3