1-(4-butan-2-ylphenyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]thiourea

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]thiourea Openeye Name: 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[1-(1,3-dimethyl-4-pyrazolyl)ethyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]thiourea Traditional Name: 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(4-sec-butylphenyl)thiourea Formula: C18H26N4S MolecularWeight: 330.49084

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC(C)C2=CN(N=C2C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC(C)C2=CN(N=C2C)C

InChI

InChI=1S/C18H26N4S/c1-6-12(2)15-7-9-16(10-8-15)20-18(23)19-13(3)17-11-22(5)21-14(17)4/h7-13H,6H2,1-5H3,(H2,19,20,23)