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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(2-methyl-4-oxo-quinazolin-3-yl)thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(2-methyl-4-oxo-3-quinazolinyl)thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-methyl-4-oxoquinazolin-3-yl)thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(4-keto-2-methyl-quinazolin-3-yl)thiourea Formula: C21H20N6O2S MolecularWeight: 420.4875

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN3C(=NC4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN3C(=NC4=CC=CC=C4C3=O)C

InChI

InChI=1S/C21H20N6O2S/c1-13-18(20(29)27(25(13)3)15-9-5-4-6-10-15)23-21(30)24-26-14(2)22-17-12-8-7-11-16(17)19(26)28/h4-12H,1-3H3,(H2,23,24,30)