2-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium

Systemtic Name: 2-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium Openeye Name: 2-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium CAS Name: 2-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium IUPAC Name: 2-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium Traditional Name: 2-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium Formula: C18H17N2S2+ MolecularWeight: 325.47098

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=[N+](C4=CC=CC=C4S3)C

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C/C3=[N+](C4=CC=CC=C4S3)C

InChI

InChI=1S/C18H17N2S2/c1-3-20-14-9-5-7-11-16(14)22-18(20)12-17-19(2)13-8-4-6-10-15(13)21-17/h4-12H,3H2,1-2H3/q+1