2-[(E)-[6,7-dimethyl-2-(4-methylphenyl)chromen-4-ylidene]methyl]-3-methyl-1,3-benzothiazol-3-ium

Systemtic Name: 2-[(E)-[6,7-dimethyl-2-(4-methylphenyl)chromen-4-ylidene]methyl]-3-methyl-1,3-benzothiazol-3-ium Openeye Name: 2-[(E)-[6,7-dimethyl-2-(p-tolyl)chromen-4-ylidene]methyl]-3-methyl-1,3-benzothiazol-3-ium CAS Name: 2-[(E)-[6,7-dimethyl-2-(4-methylphenyl)-1-benzopyran-4-ylidene]methyl]-3-methyl-1,3-benzothiazol-3-ium IUPAC Name: 2-[(E)-[6,7-dimethyl-2-(4-methylphenyl)chromen-4-ylidene]methyl]-3-methyl-1,3-benzothiazol-3-ium Traditional Name: 2-[(E)-[6,7-dimethyl-2-(p-tolyl)chromen-4-ylidene]methyl]-3-methyl-1,3-benzothiazol-3-ium Formula: C27H24NOS+ MolecularWeight: 410.55056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=CC3=[N+](C4=CC=CC=C4S3)C)C5=CC(=C(C=C5O2)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C/C(=C\C3=[N+](C4=CC=CC=C4S3)C)/C5=CC(=C(C=C5O2)C)C

InChI

InChI=1S/C27H24NOS/c1-17-9-11-20(12-10-17)24-15-21(22-13-18(2)19(3)14-25(22)29-24)16-27-28(4)23-7-5-6-8-26(23)30-27/h5-16H,1-4H3/q+1/b21-16+