1-[(3E)-3-(4-bromanyl-2-methyl-1H-pyrazol-3-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-3-(4-chlorophenyl)urea

Systemtic Name: 1-[(3E)-3-(4-bromanyl-2-methyl-1H-pyrazol-3-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-3-(4-chlorophenyl)urea Openeye Name: 1-[(3E)-3-(4-bromo-2-methyl-1H-pyrazol-3-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-3-(4-chlorophenyl)urea CAS Name: 1-[(3E)-3-(4-bromo-2-methyl-1H-pyrazol-3-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-3-(4-chlorophenyl)urea IUPAC Name: 1-[(3E)-3-(4-bromo-2-methyl-1H-pyrazol-3-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-3-(4-chlorophenyl)urea Traditional Name: 1-[(3E)-3-(4-bromo-2-methyl-3-pyrazolin-3-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]-3-(4-chlorophenyl)urea Formula: C17H14BrClN4O2 MolecularWeight: 421.67566

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=C(C=CC2=O)NC(=O)NC3=CC=C(C=C3)Cl)C(=CN1)Br

Isomeric SMILES

CN1/C(=C/2\C=C(C=CC2=O)NC(=O)NC3=CC=C(C=C3)Cl)/C(=CN1)Br

InChI

InChI=1S/C17H14BrClN4O2/c1-23-16(14(18)9-20-23)13-8-12(6-7-15(13)24)22-17(25)21-11-4-2-10(19)3-5-11/h2-9,20H,1H3,(H2,21,22,25)/b16-13+