1-(3,4-dimethoxyphenyl)-3-[(1,3-diphenylpyrazol-4-yl)methylideneamino]thiourea

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-[(1,3-diphenylpyrazol-4-yl)methylideneamino]thiourea Openeye Name: 1-(3,4-dimethoxyphenyl)-3-[(1,3-diphenylpyrazol-4-yl)methyleneamino]thiourea CAS Name: 1-(3,4-dimethoxyphenyl)-3-[(1,3-diphenyl-4-pyrazolyl)methylideneamino]thiourea IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-[(1,3-diphenylpyrazol-4-yl)methylideneamino]thiourea Traditional Name: 1-(3,4-dimethoxyphenyl)-3-[(1,3-diphenylpyrazol-4-yl)methyleneamino]thiourea Formula: C25H23N5O2S MolecularWeight: 457.54742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NN=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NN=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H23N5O2S/c1-31-22-14-13-20(15-23(22)32-2)27-25(33)28-26-16-19-17-30(21-11-7-4-8-12-21)29-24(19)18-9-5-3-6-10-18/h3-17H,1-2H3,(H2,27,28,33)