1-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-3-(3,5-dimethoxyphenyl)thiourea

Systemtic Name: 1-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-3-(3,5-dimethoxyphenyl)thiourea Openeye Name: 1-(1-benzyl-4-chloro-pyrazol-3-yl)-3-(3,5-dimethoxyphenyl)thiourea CAS Name: 1-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-3-(3,5-dimethoxyphenyl)thiourea IUPAC Name: 1-(1-benzyl-4-chloropyrazol-3-yl)-3-(3,5-dimethoxyphenyl)thiourea Traditional Name: 1-(1-benzyl-4-chloro-pyrazol-3-yl)-3-(3,5-dimethoxyphenyl)thiourea Formula: C19H19ClN4O2S MolecularWeight: 402.89776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=S)NC2=NN(C=C2Cl)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)NC2=NN(C=C2Cl)CC3=CC=CC=C3)OC

InChI

InChI=1S/C19H19ClN4O2S/c1-25-15-8-14(9-16(10-15)26-2)21-19(27)22-18-17(20)12-24(23-18)11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H2,21,22,23,27)