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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NCC2=CN(N=C2)CC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NCC2=CN(N=C2)CC

InChI

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