1-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-3-(2,5-dimethoxyphenyl)thiourea

Systemtic Name: 1-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-3-(2,5-dimethoxyphenyl)thiourea Openeye Name: 1-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-3-(2,5-dimethoxyphenyl)thiourea CAS Name: 1-[1-[(3-cyanophenyl)methyl]-4-pyrazolyl]-3-(2,5-dimethoxyphenyl)thiourea IUPAC Name: 1-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-3-(2,5-dimethoxyphenyl)thiourea Traditional Name: 1-[1-(3-cyanobenzyl)pyrazol-4-yl]-3-(2,5-dimethoxyphenyl)thiourea Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)NC2=CN(N=C2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)NC2=CN(N=C2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H19N5O2S/c1-26-17-6-7-19(27-2)18(9-17)24-20(28)23-16-11-22-25(13-16)12-15-5-3-4-14(8-15)10-21/h3-9,11,13H,12H2,1-2H3,(H2,23,24,28)