1-[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]-3-(3,5-dimethoxyphenyl)thiourea

Systemtic Name: 1-[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]-3-(3,5-dimethoxyphenyl)thiourea Openeye Name: 1-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-3-(3,5-dimethoxyphenyl)thiourea CAS Name: 1-[3-[(4-chloro-1-pyrazolyl)methyl]phenyl]-3-(3,5-dimethoxyphenyl)thiourea IUPAC Name: 1-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-3-(3,5-dimethoxyphenyl)thiourea Traditional Name: 1-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-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=CC=CC(=C2)CN3C=C(C=N3)Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)NC2=CC=CC(=C2)CN3C=C(C=N3)Cl)OC

InChI

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