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

Systemtic Name: 1-[3-(4-chloranyl-5-methyl-pyrazol-1-yl)propyl]-3-(3,4-dimethoxyphenyl)thiourea Openeye Name: 1-[3-(4-chloro-5-methyl-pyrazol-1-yl)propyl]-3-(3,4-dimethoxyphenyl)thiourea CAS Name: 1-[3-(4-chloro-5-methyl-1-pyrazolyl)propyl]-3-(3,4-dimethoxyphenyl)thiourea IUPAC Name: 1-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3-(3,4-dimethoxyphenyl)thiourea Traditional Name: 1-[3-(4-chloro-5-methyl-pyrazol-1-yl)propyl]-3-(3,4-dimethoxyphenyl)thiourea Formula: C16H21ClN4O2S MolecularWeight: 368.88154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1CCCNC(=S)NC2=CC(=C(C=C2)OC)OC)Cl

Isomeric SMILES

CC1=C(C=NN1CCCNC(=S)NC2=CC(=C(C=C2)OC)OC)Cl

InChI

InChI=1S/C16H21ClN4O2S/c1-11-13(17)10-19-21(11)8-4-7-18-16(24)20-12-5-6-14(22-2)15(9-12)23-3/h5-6,9-10H,4,7-8H2,1-3H3,(H2,18,20,24)