1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(3-pyrazol-1-ylpropyl)thiourea

Systemtic Name: 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(3-pyrazol-1-ylpropyl)thiourea Openeye Name: 1-[3,5-dimethyl-1-(o-tolylmethyl)pyrazol-4-yl]-3-(3-pyrazol-1-ylpropyl)thiourea CAS Name: 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-pyrazolyl]-3-[3-(1-pyrazolyl)propyl]thiourea IUPAC Name: 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(3-pyrazol-1-ylpropyl)thiourea Traditional Name: 1-[3,5-dimethyl-1-(2-methylbenzyl)pyrazol-4-yl]-3-(3-pyrazol-1-ylpropyl)thiourea Formula: C20H26N6S MolecularWeight: 382.52564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=S)NCCCN3C=CC=N3)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=S)NCCCN3C=CC=N3)C

InChI

InChI=1S/C20H26N6S/c1-15-8-4-5-9-18(15)14-26-17(3)19(16(2)24-26)23-20(27)21-10-6-12-25-13-7-11-22-25/h4-5,7-9,11,13H,6,10,12,14H2,1-3H3,(H2,21,23,27)