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

Systemtic Name: 1-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-3-(2-methoxy-5-methyl-phenyl)thiourea Openeye Name: 1-(1-benzyl-4-chloro-pyrazol-3-yl)-3-(2-methoxy-5-methyl-phenyl)thiourea CAS Name: 1-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-3-(2-methoxy-5-methylphenyl)thiourea IUPAC Name: 1-(1-benzyl-4-chloropyrazol-3-yl)-3-(2-methoxy-5-methylphenyl)thiourea Traditional Name: 1-(1-benzyl-4-chloro-pyrazol-3-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=NN(C=C2Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)NC2=NN(C=C2Cl)CC3=CC=CC=C3

InChI

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