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

Systemtic Name: 1-(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)-3-(4-ethylphenyl)thiourea Openeye Name: 1-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-3-(4-ethylphenyl)thiourea CAS Name: 1-[3,3-dimethyl-1-(1-pyrazolyl)butan-2-yl]-3-(4-ethylphenyl)thiourea IUPAC Name: 1-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-3-(4-ethylphenyl)thiourea Traditional Name: 1-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-3-(4-ethylphenyl)thiourea Formula: C18H26N4S MolecularWeight: 330.49084

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NC(CN2C=CC=N2)C(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NC(CN2C=CC=N2)C(C)(C)C

InChI

InChI=1S/C18H26N4S/c1-5-14-7-9-15(10-8-14)20-17(23)21-16(18(2,3)4)13-22-12-6-11-19-22/h6-12,16H,5,13H2,1-4H3,(H2,20,21,23)