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

Systemtic Name: 1-(4-butylphenyl)-3-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]thiourea Openeye Name: 1-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-3-(4-butylphenyl)thiourea CAS Name: 1-(4-butylphenyl)-3-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]thiourea IUPAC Name: 1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(4-butylphenyl)thiourea Traditional Name: 1-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-3-(4-butylphenyl)thiourea Formula: C23H28N4S MolecularWeight: 392.56022

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4S/c1-4-5-9-19-12-14-21(15-13-19)24-23(28)25-22-17(2)26-27(18(22)3)16-20-10-7-6-8-11-20/h6-8,10-15H,4-5,9,16H2,1-3H3,(H2,24,25,28)