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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]thiourea Openeye Name: 1-(3,4-dimethoxyphenyl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]thiourea CAS Name: 1-(3,4-dimethoxyphenyl)-3-[(1,3-diphenyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]thiourea Traditional Name: 1-(3,4-dimethoxyphenyl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]thiourea Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H24N4O2S/c1-30-22-14-13-20(15-23(22)31-2)27-25(32)26-16-19-17-29(21-11-7-4-8-12-21)28-24(19)18-9-5-3-6-10-18/h3-15,17H,16H2,1-2H3,(H2,26,27,32)