2-(1,3-benzothiazol-2-yl)-4-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-1H-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-1H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-1H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-1H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-1H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-pyrazolin-3-one Formula: C19H14BrN3O3S MolecularWeight: 444.30176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C=C4C=C(C(=O)C(=C4)Br)OC

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C=C4C=C(C(=O)C(=C4)Br)OC

InChI

InChI=1S/C19H14BrN3O3S/c1-10-12(7-11-8-13(20)17(24)15(9-11)26-2)18(25)23(22-10)19-21-14-5-3-4-6-16(14)27-19/h3-9,22H,1-2H3