2-(1,3-benzothiazol-2-yl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)-1,3-thiazol-2-ylidene]ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)-1,3-thiazol-2-ylidene]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(p-tolyl)thiazol-2-ylidene]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)-2-thiazolylidene]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)-1,3-thiazol-2-ylidene]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(p-tolyl)-4-thiazolin-2-ylidene]acetonitrile Formula: C27H19N3O2S2 MolecularWeight: 481.58866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CSC2=C(C#N)C3=NC4=CC=CC=C4S3)C5=CC6=C(C=C5)OCCO6

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CSC2=C(C#N)C3=NC4=CC=CC=C4S3)C5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C27H19N3O2S2/c1-17-6-9-19(10-7-17)30-22(18-8-11-23-24(14-18)32-13-12-31-23)16-33-27(30)20(15-28)26-29-21-4-2-3-5-25(21)34-26/h2-11,14,16H,12-13H2,1H3