1-[2-(7-chloranylquinolin-4-yl)-4-cyano-pyrazol-3-yl]-3-(4-methylphenyl)sulfonyl-urea

Systemtic Name: 1-[2-(7-chloranylquinolin-4-yl)-4-cyano-pyrazol-3-yl]-3-(4-methylphenyl)sulfonyl-urea Openeye Name: 1-[2-(7-chloro-4-quinolyl)-4-cyano-pyrazol-3-yl]-3-(p-tolylsulfonyl)urea CAS Name: 1-[2-(7-chloro-4-quinolinyl)-4-cyano-3-pyrazolyl]-3-(4-methylphenyl)sulfonylurea IUPAC Name: 1-[2-(7-chloroquinolin-4-yl)-4-cyanopyrazol-3-yl]-3-(4-methylphenyl)sulfonylurea Traditional Name: 1-[2-(7-chloro-4-quinolyl)-4-cyano-pyrazol-3-yl]-3-tosyl-urea Formula: C21H15ClN6O3S MolecularWeight: 466.9002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C=NN2C3=C4C=CC(=CC4=NC=C3)Cl)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C=NN2C3=C4C=CC(=CC4=NC=C3)Cl)C#N

InChI

InChI=1S/C21H15ClN6O3S/c1-13-2-5-16(6-3-13)32(30,31)27-21(29)26-20-14(11-23)12-25-28(20)19-8-9-24-18-10-15(22)4-7-17(18)19/h2-10,12H,1H3,(H2,26,27,29)