1-[(1S,2S)-2-methylcyclohexyl]-3-(2-phenyl-3,4-dihydropyrazol-5-yl)thiourea

Systemtic Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-(2-phenyl-3,4-dihydropyrazol-5-yl)thiourea Openeye Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-(2-phenyl-3,4-dihydropyrazol-5-yl)thiourea CAS Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-(2-phenyl-3,4-dihydropyrazol-5-yl)thiourea IUPAC Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-(2-phenyl-3,4-dihydropyrazol-5-yl)thiourea Traditional Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-(1-phenyl-2-pyrazolin-3-yl)thiourea Formula: C17H24N4S MolecularWeight: 316.46426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NC2=NN(CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)NC2=NN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C17H24N4S/c1-13-7-5-6-10-15(13)18-17(22)19-16-11-12-21(20-16)14-8-3-2-4-9-14/h2-4,8-9,13,15H,5-7,10-12H2,1H3,(H2,18,19,20,22)/t13-,15-/m0/s1