2-[(E)-2-ethylsulfanyl-3,3-dimethyl-but-1-enyl]-3-methyl-1,3-benzothiazol-3-ium

Systemtic Name: 2-[(E)-2-ethylsulfanyl-3,3-dimethyl-but-1-enyl]-3-methyl-1,3-benzothiazol-3-ium Openeye Name: 2-[(E)-2-ethylsulfanyl-3,3-dimethyl-but-1-enyl]-3-methyl-1,3-benzothiazol-3-ium CAS Name: 2-[(E)-2-(ethylthio)-3,3-dimethylbut-1-enyl]-3-methyl-1,3-benzothiazol-3-ium IUPAC Name: 2-[(E)-2-ethylsulfanyl-3,3-dimethylbut-1-enyl]-3-methyl-1,3-benzothiazol-3-ium Traditional Name: 2-[(E)-2-(ethylthio)-3,3-dimethyl-but-1-enyl]-3-methyl-1,3-benzothiazol-3-ium Formula: C16H22NS2+ MolecularWeight: 292.48258

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=CC1=[N+](C2=CC=CC=C2S1)C)C(C)(C)C

Isomeric SMILES

CCS/C(=C/C1=[N+](C2=CC=CC=C2S1)C)/C(C)(C)C

InChI

InChI=1S/C16H22NS2/c1-6-18-14(16(2,3)4)11-15-17(5)12-9-7-8-10-13(12)19-15/h7-11H,6H2,1-5H3/q+1/b14-11+