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

Systemtic Name: 3-(4-isothiocyanatophenyl)-2-sulfanylidene-1,3-thiazepan-4-one Openeye Name: 3-(4-isothiocyanatophenyl)-2-thioxo-1,3-thiazepan-4-one CAS Name: 3-(4-isothiocyanatophenyl)-2-sulfanylidene-1,3-thiazepan-4-one IUPAC Name: 3-(4-isothiocyanatophenyl)-2-sulfanylidene-1,3-thiazepan-4-one Traditional Name: 3-(4-isothiocyanatophenyl)-2-thioxo-1,3-thiazepan-4-one Formula: C12H10N2OS3 MolecularWeight: 294.4156

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C(=S)SC1)C2=CC=C(C=C2)N=C=S

Isomeric SMILES

C1CC(=O)N(C(=S)SC1)C2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C12H10N2OS3/c15-11-2-1-7-18-12(17)14(11)10-5-3-9(4-6-10)13-8-16/h3-6H,1-2,7H2