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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(2-methoxy-5-methyl-phenyl)thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(2-methoxy-5-methyl-phenyl)thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(2-methoxy-5-methylphenyl)thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-methoxy-5-methylphenyl)thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(2-methoxy-5-methyl-phenyl)thiourea Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C20H22N4O2S/c1-13-10-11-17(26-4)16(12-13)21-20(27)22-18-14(2)23(3)24(19(18)25)15-8-6-5-7-9-15/h5-12H,1-4H3,(H2,21,22,27)