1-[4-cyano-2-(8-methoxy-4-methyl-quinolin-2-yl)pyrazol-3-yl]-3-phenyl-thiourea

Systemtic Name: 1-[4-cyano-2-(8-methoxy-4-methyl-quinolin-2-yl)pyrazol-3-yl]-3-phenyl-thiourea Openeye Name: 1-[4-cyano-2-(8-methoxy-4-methyl-2-quinolyl)pyrazol-3-yl]-3-phenyl-thiourea CAS Name: 1-[4-cyano-2-(8-methoxy-4-methyl-2-quinolinyl)-3-pyrazolyl]-3-phenylthiourea IUPAC Name: 1-[4-cyano-2-(8-methoxy-4-methylquinolin-2-yl)pyrazol-3-yl]-3-phenylthiourea Traditional Name: 1-[4-cyano-2-(8-methoxy-4-methyl-2-quinolyl)pyrazol-3-yl]-3-phenyl-thiourea Formula: C22H18N6OS MolecularWeight: 414.48292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OC)N3C(=C(C=N3)C#N)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OC)N3C(=C(C=N3)C#N)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C22H18N6OS/c1-14-11-19(26-20-17(14)9-6-10-18(20)29-2)28-21(15(12-23)13-24-28)27-22(30)25-16-7-4-3-5-8-16/h3-11,13H,1-2H3,(H2,25,27,30)