S-(3-cyclohexyl-3-propan-2-ylsulfanyl-2H-1,3-benzothiazol-3-ium-2-yl)thiohydroxylamine

Systemtic Name: S-(3-cyclohexyl-3-propan-2-ylsulfanyl-2H-1,3-benzothiazol-3-ium-2-yl)thiohydroxylamine Openeye Name: S-(3-cyclohexyl-3-isopropylsulfanyl-2H-1,3-benzothiazol-3-ium-2-yl)thiohydroxylamine CAS Name: S-[3-cyclohexyl-3-(propan-2-ylthio)-2H-1,3-benzothiazol-3-ium-2-yl]thiohydroxylamine IUPAC Name: S-(3-cyclohexyl-3-propan-2-ylsulfanyl-2H-1,3-benzothiazol-3-ium-2-yl)thiohydroxylamine Traditional Name: S-[3-cyclohexyl-3-(isopropylthio)-2H-1,3-benzothiazol-3-ium-2-yl]thiohydroxylamine Formula: C16H25N2S3+ MolecularWeight: 341.5781

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S[N+]1(C(SC2=CC=CC=C21)SN)C3CCCCC3

Isomeric SMILES

CC(C)S[N+]1(C(SC2=CC=CC=C21)SN)C3CCCCC3

InChI

InChI=1S/C16H25N2S3/c1-12(2)21-18(13-8-4-3-5-9-13)14-10-6-7-11-15(14)19-16(18)20-17/h6-7,10-13,16H,3-5,8-9,17H2,1-2H3/q+1