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

Systemtic Name: 1-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-3-(3,4-dimethoxyphenyl)thiourea Openeye Name: 1-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-3-(3,4-dimethoxyphenyl)thiourea CAS Name: 1-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-3-(3,4-dimethoxyphenyl)thiourea IUPAC Name: 1-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(3,4-dimethoxyphenyl)thiourea Traditional Name: 1-[1-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]-3-(3,4-dimethoxyphenyl)thiourea Formula: C20H21ClN4O2S MolecularWeight: 416.92434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(C=C2)Cl)NC(=S)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)Cl)NC(=S)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H21ClN4O2S/c1-13-10-19(24-25(13)12-14-4-6-15(21)7-5-14)23-20(28)22-16-8-9-17(26-2)18(11-16)27-3/h4-11H,12H2,1-3H3,(H2,22,23,24,28)