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

Systemtic Name: 1-[(E)-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methylideneamino]-3-(4-methoxyphenyl)thiourea Openeye Name: 1-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]-3-(4-methoxyphenyl)thiourea CAS Name: 1-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methylideneamino]-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-[(E)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]-3-(4-methoxyphenyl)thiourea Traditional Name: 1-[(E)-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyleneamino]-3-(4-methoxyphenyl)thiourea Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=S)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)/C=N/NC(=S)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H21N5O2S/c1-14-18(19(26)25(24(14)2)16-7-5-4-6-8-16)13-21-23-20(28)22-15-9-11-17(27-3)12-10-15/h4-13H,1-3H3,(H2,22,23,28)/b21-13+