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

Systemtic Name: 2-isothiocyanato-3-(4-nitrophenyl)-6,7-dihydro-5H-1,4-dithiepine Openeye Name: 2-isothiocyanato-3-(4-nitrophenyl)-6,7-dihydro-5H-1,4-dithiepine CAS Name: 2-isothiocyanato-3-(4-nitrophenyl)-6,7-dihydro-5H-1,4-dithiepin IUPAC Name: 2-isothiocyanato-3-(4-nitrophenyl)-6,7-dihydro-5H-1,4-dithiepine Traditional Name: 2-isothiocyanato-3-(4-nitrophenyl)-6,7-dihydro-5H-1,4-dithiepin Formula: C12H10N2O2S3 MolecularWeight: 310.415

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=C(SC1)N=C=S)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CSC(=C(SC1)N=C=S)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O2S3/c15-14(16)10-4-2-9(3-5-10)11-12(13-8-17)19-7-1-6-18-11/h2-5H,1,6-7H2