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

Systemtic Name: 1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-5-methyl-phenyl)thiourea Openeye Name: 1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-5-methyl-phenyl)thiourea CAS Name: 1-[1-[(4-chlorophenyl)methyl]-4-pyrazolyl]-3-(2-methoxy-5-methylphenyl)thiourea IUPAC Name: 1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)thiourea Traditional Name: 1-[1-(4-chlorobenzyl)pyrazol-4-yl]-3-(2-methoxy-5-methyl-phenyl)thiourea Formula: C19H19ClN4OS MolecularWeight: 386.89836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4OS/c1-13-3-8-18(25-2)17(9-13)23-19(26)22-16-10-21-24(12-16)11-14-4-6-15(20)7-5-14/h3-10,12H,11H2,1-2H3,(H2,22,23,26)