1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(2-methylpropyl)thiourea

Systemtic Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(2-methylpropyl)thiourea Openeye Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-isobutyl-thiourea CAS Name: 1-[(1,3-diphenyl-4-pyrazolyl)methyl]-3-(2-methylpropyl)thiourea IUPAC Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(2-methylpropyl)thiourea Traditional Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-isobutyl-thiourea Formula: C21H24N4S MolecularWeight: 364.50706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)NCC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CNC(=S)NCC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4S/c1-16(2)13-22-21(26)23-14-18-15-25(19-11-7-4-8-12-19)24-20(18)17-9-5-3-6-10-17/h3-12,15-16H,13-14H2,1-2H3,(H2,22,23,26)