1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(Z)-(4-methoxy-3-oxidanyl-phenyl)methylideneamino]thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(Z)-(4-methoxy-3-oxidanyl-phenyl)methylideneamino]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(Z)-(3-hydroxy-4-methoxy-phenyl)methyleneamino]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea Traditional Name: 1-[(Z)-(3-hydroxy-4-methoxy-benzylidene)amino]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C20H21N5O3S MolecularWeight: 411.47744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN=CC3=CC(=C(C=C3)OC)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N/N=C\C3=CC(=C(C=C3)OC)O

InChI

InChI=1S/C20H21N5O3S/c1-13-18(19(27)25(24(13)2)15-7-5-4-6-8-15)22-20(29)23-21-12-14-9-10-17(28-3)16(26)11-14/h4-12,26H,1-3H3,(H2,22,23,29)/b21-12-