1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea

Systemtic Name: 1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-[(E)-(3,4-dimethoxyphenyl)methyleneamino]-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea CAS Name: 1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[(E)-veratrylideneamino]thiourea Formula: C21H23N5O3S MolecularWeight: 425.50402

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3S/c1-14-19(20(27)26(25(14)2)16-8-6-5-7-9-16)23-21(30)24-22-13-15-10-11-17(28-3)18(12-15)29-4/h5-13H,1-4H3,(H2,23,24,30)/b22-13+