1-[(1R,2S)-2-methylcyclohexyl]-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea

Systemtic Name: 1-[(1R,2S)-2-methylcyclohexyl]-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea Openeye Name: 1-[(1R,2S)-2-methylcyclohexyl]-3-[1-(o-tolylmethyl)pyrazol-4-yl]thiourea CAS Name: 1-[(1R,2S)-2-methylcyclohexyl]-3-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-[(1R,2S)-2-methylcyclohexyl]-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-[1-(2-methylbenzyl)pyrazol-4-yl]-3-[(1R,2S)-2-methylcyclohexyl]thiourea Formula: C19H26N4S MolecularWeight: 342.50154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NC2=CN(N=C2)CC3=CC=CC=C3C

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=S)NC2=CN(N=C2)CC3=CC=CC=C3C

InChI

InChI=1S/C19H26N4S/c1-14-7-3-5-9-16(14)12-23-13-17(11-20-23)21-19(24)22-18-10-6-4-8-15(18)2/h3,5,7,9,11,13,15,18H,4,6,8,10,12H2,1-2H3,(H2,21,22,24)/t15-,18+/m0/s1