2-isothiocyanato-3-phenyl-6,7-dihydro-5H-1,4-dithiepine

Systemtic Name: 2-isothiocyanato-3-phenyl-6,7-dihydro-5H-1,4-dithiepine Openeye Name: 2-isothiocyanato-3-phenyl-6,7-dihydro-5H-1,4-dithiepine CAS Name: 2-isothiocyanato-3-phenyl-6,7-dihydro-5H-1,4-dithiepin IUPAC Name: 2-isothiocyanato-3-phenyl-6,7-dihydro-5H-1,4-dithiepine Traditional Name: 2-isothiocyanato-3-phenyl-6,7-dihydro-5H-1,4-dithiepin Formula: C12H11NS3 MolecularWeight: 265.41744

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=C(SC1)N=C=S)C2=CC=CC=C2

Isomeric SMILES

C1CSC(=C(SC1)N=C=S)C2=CC=CC=C2

InChI

InChI=1S/C12H11NS3/c14-9-13-12-11(15-7-4-8-16-12)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2