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

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]thiourea Openeye Name: 1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[(1,3-dimethyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]thiourea Traditional Name: 1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(4-sec-butylphenyl)thiourea Formula: C17H24N4S MolecularWeight: 316.46426

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NCC2=CN(N=C2C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NCC2=CN(N=C2C)C

InChI

InChI=1S/C17H24N4S/c1-5-12(2)14-6-8-16(9-7-14)19-17(22)18-10-15-11-21(4)20-13(15)3/h6-9,11-12H,5,10H2,1-4H3,(H2,18,19,22)