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

Systemtic Name: 1-(4-butylphenyl)-3-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]thiourea CAS Name: 1-(4-butylphenyl)-3-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-pyrazolyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiourea Traditional Name: 1-(4-butylphenyl)-3-(1-m-anisyl-3,5-dimethyl-pyrazol-4-yl)thiourea Formula: C24H30N4OS MolecularWeight: 422.5862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=C(N(N=C2C)CC3=CC(=CC=C3)OC)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=C(N(N=C2C)CC3=CC(=CC=C3)OC)C

InChI

InChI=1S/C24H30N4OS/c1-5-6-8-19-11-13-21(14-12-19)25-24(30)26-23-17(2)27-28(18(23)3)16-20-9-7-10-22(15-20)29-4/h7,9-15H,5-6,8,16H2,1-4H3,(H2,25,26,30)