2-(1,3-benzothiazol-2-yl)-4-[(3-methoxy-5-nitro-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-methoxy-5-nitro-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-methoxy-5-nitro-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-methoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-1H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-1H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(4-keto-3-methoxy-5-nitro-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-pyrazolin-3-one Formula: C19H14N4O5S MolecularWeight: 410.40326

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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)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C=C4C=C(C(=O)C(=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H14N4O5S/c1-10-12(7-11-8-14(23(26)27)17(24)15(9-11)28-2)18(25)22(21-10)19-20-13-5-3-4-6-16(13)29-19/h3-9,21H,1-2H3