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

Systemtic Name: 1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dimethoxyphenyl)thiourea Openeye Name: 1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dimethoxyphenyl)thiourea CAS Name: 1-[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]-3-(3,4-dimethoxyphenyl)thiourea IUPAC Name: 1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dimethoxyphenyl)thiourea Traditional Name: 1-[1-(2-chlorobenzyl)pyrazol-4-yl]-3-(3,4-dimethoxyphenyl)thiourea Formula: C19H19ClN4O2S MolecularWeight: 402.89776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC2=CN(N=C2)CC3=CC=CC=C3Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC2=CN(N=C2)CC3=CC=CC=C3Cl)OC

InChI

InChI=1S/C19H19ClN4O2S/c1-25-17-8-7-14(9-18(17)26-2)22-19(27)23-15-10-21-24(12-15)11-13-5-3-4-6-16(13)20/h3-10,12H,11H2,1-2H3,(H2,22,23,27)