1-(4-butan-2-ylphenyl)-3-[1-(phenylmethyl)pyrazol-3-yl]thiourea

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[1-(phenylmethyl)pyrazol-3-yl]thiourea Openeye Name: 1-(1-benzylpyrazol-3-yl)-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[1-(phenylmethyl)-3-pyrazolyl]thiourea IUPAC Name: 1-(1-benzylpyrazol-3-yl)-3-(4-butan-2-ylphenyl)thiourea Traditional Name: 1-(1-benzylpyrazol-3-yl)-3-(4-sec-butylphenyl)thiourea Formula: C21H24N4S MolecularWeight: 364.50706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=NN(C=C2)CC3=CC=CC=C3

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=NN(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N4S/c1-3-16(2)18-9-11-19(12-10-18)22-21(26)23-20-13-14-25(24-20)15-17-7-5-4-6-8-17/h4-14,16H,3,15H2,1-2H3,(H2,22,23,24,26)