3-[(E)-(7-methoxy-3,4,5,6-tetrahydro-1H-naphthalen-2-ylidene)methyl]-5-methylsulfanyl-1,3-benzothiazol-3-ium

Systemtic Name: 3-[(E)-(7-methoxy-3,4,5,6-tetrahydro-1H-naphthalen-2-ylidene)methyl]-5-methylsulfanyl-1,3-benzothiazol-3-ium Openeye Name: 3-[(E)-(7-methoxy-3,4,5,6-tetrahydro-1H-naphthalen-2-ylidene)methyl]-5-methylsulfanyl-1,3-benzothiazol-3-ium CAS Name: 3-[(E)-(7-methoxy-3,4,5,6-tetrahydro-1H-naphthalen-2-ylidene)methyl]-5-(methylthio)-1,3-benzothiazol-3-ium IUPAC Name: 3-[(E)-(7-methoxy-3,4,5,6-tetrahydro-1H-naphthalen-2-ylidene)methyl]-5-methylsulfanyl-1,3-benzothiazol-3-ium Traditional Name: 3-[(E)-(7-methoxy-3,4,5,6-tetrahydro-1H-naphthalen-2-ylidene)methyl]-5-(methylthio)-1,3-benzothiazol-3-ium Formula: C20H22NOS2+ MolecularWeight: 356.52478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCC(=C[N+]3=CSC4=C3C=C(C=C4)SC)C2)CC1

Isomeric SMILES

COC1=CC2=C(CC/C(=C\[N+]3=CSC4=C3C=C(C=C4)SC)/C2)CC1

InChI

InChI=1S/C20H22NOS2/c1-22-17-6-5-15-4-3-14(9-16(15)10-17)12-21-13-24-20-8-7-18(23-2)11-19(20)21/h7-8,10-13H,3-6,9H2,1-2H3/q+1/b14-12+