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

Systemtic Name: 3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazepan-4-one Openeye Name: 3-(p-tolyl)-2-thioxo-1,3-thiazepan-4-one CAS Name: 3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazepan-4-one IUPAC Name: 3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazepan-4-one Traditional Name: 3-(p-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=C(C=C1)N2C(=O)CCCSC2=S

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)CCCSC2=S

InChI

InChI=1S/C12H13NOS2/c1-9-4-6-10(7-5-9)13-11(14)3-2-8-16-12(13)15/h4-7H,2-3,8H2,1H3