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

Systemtic Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-[(1S,2S)-2-methylcyclohexyl]thiourea Openeye Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-[(1S,2S)-2-methylcyclohexyl]thiourea CAS Name: 1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-3-[(1S,2S)-2-methylcyclohexyl]thiourea IUPAC Name: 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(1S,2S)-2-methylcyclohexyl]thiourea Traditional Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-[(1S,2S)-2-methylcyclohexyl]thiourea Formula: C20H28N4S MolecularWeight: 356.52812

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NCC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)NCC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C20H28N4S/c1-14-9-7-8-12-19(14)22-20(25)21-13-18-15(2)23-24(16(18)3)17-10-5-4-6-11-17/h4-6,10-11,14,19H,7-9,12-13H2,1-3H3,(H2,21,22,25)/t14-,19-/m0/s1