1-(3-chloranyl-2-methyl-phenyl)-3-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-pyrazolyl]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-(1-m-anisyl-3,5-dimethyl-pyrazol-4-yl)thiourea Formula: C21H23ClN4OS MolecularWeight: 414.95152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NC2=C(N(N=C2C)CC3=CC(=CC=C3)OC)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NC2=C(N(N=C2C)CC3=CC(=CC=C3)OC)C

InChI

InChI=1S/C21H23ClN4OS/c1-13-18(22)9-6-10-19(13)23-21(28)24-20-14(2)25-26(15(20)3)12-16-7-5-8-17(11-16)27-4/h5-11H,12H2,1-4H3,(H2,23,24,28)