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

Systemtic Name: 2-isothiocyanato-3-(4-methoxyphenyl)-6,7-dihydro-5H-1,4-dithiepine Openeye Name: 2-isothiocyanato-3-(4-methoxyphenyl)-6,7-dihydro-5H-1,4-dithiepine CAS Name: 2-isothiocyanato-3-(4-methoxyphenyl)-6,7-dihydro-5H-1,4-dithiepin IUPAC Name: 2-isothiocyanato-3-(4-methoxyphenyl)-6,7-dihydro-5H-1,4-dithiepine Traditional Name: 2-isothiocyanato-3-(4-methoxyphenyl)-6,7-dihydro-5H-1,4-dithiepin Formula: C13H13NOS3 MolecularWeight: 295.44342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(SCCCS2)N=C=S

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(SCCCS2)N=C=S

InChI

InChI=1S/C13H13NOS3/c1-15-11-5-3-10(4-6-11)12-13(14-9-16)18-8-2-7-17-12/h3-6H,2,7-8H2,1H3