1-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-3-(2-methoxy-5-methyl-phenyl)thiourea

Systemtic Name: 1-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-3-(2-methoxy-5-methyl-phenyl)thiourea Openeye Name: 1-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-3-(2-methoxy-5-methyl-phenyl)thiourea CAS Name: 1-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-3-(2-methoxy-5-methylphenyl)thiourea IUPAC Name: 1-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(2-methoxy-5-methylphenyl)thiourea Traditional Name: 1-[1-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]-3-(2-methoxy-5-methyl-phenyl)thiourea Formula: C20H21ClN4OS MolecularWeight: 400.92494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4OS/c1-13-4-9-18(26-3)17(10-13)22-20(27)23-19-11-14(2)25(24-19)12-15-5-7-16(21)8-6-15/h4-11H,12H2,1-3H3,(H2,22,23,24,27)