1-(4-butylphenyl)-3-(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)thiourea

Systemtic Name: 1-(4-butylphenyl)-3-(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)thiourea Openeye Name: 1-(4-butylphenyl)-3-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[3,3-dimethyl-1-(1-pyrazolyl)butan-2-yl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)thiourea Traditional Name: 1-(4-butylphenyl)-3-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]thiourea Formula: C20H30N4S MolecularWeight: 358.544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC(CN2C=CC=N2)C(C)(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC(CN2C=CC=N2)C(C)(C)C

InChI

InChI=1S/C20H30N4S/c1-5-6-8-16-9-11-17(12-10-16)22-19(25)23-18(20(2,3)4)15-24-14-7-13-21-24/h7,9-14,18H,5-6,8,15H2,1-4H3,(H2,22,23,25)