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

Systemtic Name: 3-(4-methoxyphenyl)-6,7-dihydro-5H-1,4-dithiepine-2-carbonitrile Openeye Name: 3-(4-methoxyphenyl)-6,7-dihydro-5H-1,4-dithiepine-2-carbonitrile CAS Name: 3-(4-methoxyphenyl)-6,7-dihydro-5H-1,4-dithiepin-2-carbonitrile IUPAC Name: 3-(4-methoxyphenyl)-6,7-dihydro-5H-1,4-dithiepine-2-carbonitrile Traditional Name: 3-(4-methoxyphenyl)-6,7-dihydro-5H-1,4-dithiepin-2-carbonitrile Formula: C13H13NOS2 MolecularWeight: 263.37842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NOS2/c1-15-11-5-3-10(4-6-11)13-12(9-14)16-7-2-8-17-13/h3-6H,2,7-8H2,1H3