1-(4-butylphenyl)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)CN3C(=CC(=N3)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)CN3C(=CC(=N3)C)C

InChI

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