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

Systemtic Name: 3-methyl-2-[(E)-[6-methyl-2-(4-methylphenyl)chromen-4-ylidene]methyl]-1,3-benzothiazol-3-ium Openeye Name: 3-methyl-2-[(E)-[6-methyl-2-(p-tolyl)chromen-4-ylidene]methyl]-1,3-benzothiazol-3-ium CAS Name: 3-methyl-2-[(E)-[6-methyl-2-(4-methylphenyl)-1-benzopyran-4-ylidene]methyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-methyl-2-[(E)-[6-methyl-2-(4-methylphenyl)chromen-4-ylidene]methyl]-1,3-benzothiazol-3-ium Traditional Name: 3-methyl-2-[(E)-[6-methyl-2-(p-tolyl)chromen-4-ylidene]methyl]-1,3-benzothiazol-3-ium Formula: C26H22NOS+ MolecularWeight: 396.52398

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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=C(O2)C=CC(=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C/C(=C\C3=[N+](C4=CC=CC=C4S3)C)/C5=C(O2)C=CC(=C5)C

InChI

InChI=1S/C26H22NOS/c1-17-8-11-19(12-9-17)24-15-20(21-14-18(2)10-13-23(21)28-24)16-26-27(3)22-6-4-5-7-25(22)29-26/h4-16H,1-3H3/q+1/b20-16+