3-ethyl-5,6-bis(methylsulfanyl)-1,3-benzothiazol-3-ium

Systemtic Name: 3-ethyl-5,6-bis(methylsulfanyl)-1,3-benzothiazol-3-ium Openeye Name: 3-ethyl-5,6-bis(methylsulfanyl)-1,3-benzothiazol-3-ium CAS Name: 3-ethyl-5,6-bis(methylthio)-1,3-benzothiazol-3-ium IUPAC Name: 3-ethyl-5,6-bis(methylsulfanyl)-1,3-benzothiazol-3-ium Traditional Name: 3-ethyl-5,6-bis(methylthio)-1,3-benzothiazol-3-ium Formula: C11H14NS3+ MolecularWeight: 256.43056

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CSC2=CC(=C(C=C21)SC)SC

Isomeric SMILES

CC[N+]1=CSC2=CC(=C(C=C21)SC)SC

InChI

InChI=1S/C11H14NS3/c1-4-12-7-15-9-6-11(14-3)10(13-2)5-8(9)12/h5-7H,4H2,1-3H3/q+1