1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-isoquinolin-5-yl-thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-isoquinolin-5-yl-thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(5-isoquinolyl)thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(5-isoquinolinyl)thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-isoquinolin-5-ylthiourea Traditional Name: 1-(5-isoquinolyl)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H19N5OS/c1-14-19(20(27)26(25(14)2)16-8-4-3-5-9-16)24-21(28)23-18-10-6-7-15-13-22-12-11-17(15)18/h3-13H,1-2H3,(H2,23,24,28)