2-(4-chlorophenyl)-3-isothiocyanato-6,7-dihydro-5H-1,4-dithiepine

Systemtic Name: 2-(4-chlorophenyl)-3-isothiocyanato-6,7-dihydro-5H-1,4-dithiepine Openeye Name: 2-(4-chlorophenyl)-3-isothiocyanato-6,7-dihydro-5H-1,4-dithiepine CAS Name: 2-(4-chlorophenyl)-3-isothiocyanato-6,7-dihydro-5H-1,4-dithiepin IUPAC Name: 2-(4-chlorophenyl)-3-isothiocyanato-6,7-dihydro-5H-1,4-dithiepine Traditional Name: 2-(4-chlorophenyl)-3-isothiocyanato-6,7-dihydro-5H-1,4-dithiepin Formula: C12H10ClNS3 MolecularWeight: 299.8625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClNS3/c13-10-4-2-9(3-5-10)11-12(14-8-15)17-7-1-6-16-11/h2-5H,1,6-7H2