1-(4-isothiocyanatophenyl)sulfonylazepane

Systemtic Name: 1-(4-isothiocyanatophenyl)sulfonylazepane Openeye Name: 1-(4-isothiocyanatophenyl)sulfonylazepane CAS Name: 1-(4-isothiocyanatophenyl)sulfonylazepane IUPAC Name: 1-(4-isothiocyanatophenyl)sulfonylazepane Traditional Name: 1-(4-isothiocyanatophenyl)sulfonylazepane Formula: C13H16N2O2S2 MolecularWeight: 296.40834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N=C=S

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C13H16N2O2S2/c16-19(17,15-9-3-1-2-4-10-15)13-7-5-12(6-8-13)14-11-18/h5-8H,1-4,9-10H2