1-(4-butylphenyl)-3-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]thiourea Formula: C19H28N4S MolecularWeight: 344.51742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCC2=C(N(N=C2C)CC)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCC2=C(N(N=C2C)CC)C

InChI

InChI=1S/C19H28N4S/c1-5-7-8-16-9-11-17(12-10-16)21-19(24)20-13-18-14(3)22-23(6-2)15(18)4/h9-12H,5-8,13H2,1-4H3,(H2,20,21,24)