1-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)propane-1,3-dione

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)propane-1,3-dione Openeye Name: 1-(1,3-benzothiazol-2-yl)-3-(p-tolyl)propane-1,3-dione CAS Name: 1-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)propane-1,3-dione IUPAC Name: 1-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)propane-1,3-dione Traditional Name: 1-(1,3-benzothiazol-2-yl)-3-(p-tolyl)propane-1,3-dione Formula: C17H13NO2S MolecularWeight: 295.35562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H13NO2S/c1-11-6-8-12(9-7-11)14(19)10-15(20)17-18-13-4-2-3-5-16(13)21-17/h2-9H,10H2,1H3