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

Systemtic Name: 1-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-3-(3,4-dimethylphenyl)thiourea Openeye Name: 1-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-3-(3,4-dimethylphenyl)thiourea CAS Name: 1-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-3-(3,4-dimethylphenyl)thiourea IUPAC Name: 1-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(3,4-dimethylphenyl)thiourea Traditional Name: 1-[1-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]-3-(3,4-dimethylphenyl)thiourea Formula: C20H21ClN4S MolecularWeight: 384.92554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=NN(C(=C2)C)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=NN(C(=C2)C)CC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C20H21ClN4S/c1-13-4-9-18(10-14(13)2)22-20(26)23-19-11-15(3)25(24-19)12-16-5-7-17(21)8-6-16/h4-11H,12H2,1-3H3,(H2,22,23,24,26)