3-(2,3-dimethylphenyl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]thiourea

Systemtic Name: 3-(2,3-dimethylphenyl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]thiourea Openeye Name: 3-(2,3-dimethylphenyl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]thiourea CAS Name: 3-(2,3-dimethylphenyl)-1-methyl-1-[(1-phenyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 3-(2,3-dimethylphenyl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]thiourea Traditional Name: 3-(2,3-dimethylphenyl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]thiourea Formula: C20H22N4S MolecularWeight: 350.48048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)N(C)CC2=CN(N=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N(C)CC2=CN(N=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H22N4S/c1-15-8-7-11-19(16(15)2)22-20(25)23(3)13-17-12-21-24(14-17)18-9-5-4-6-10-18/h4-12,14H,13H2,1-3H3,(H,22,25)