1-cyclohexyl-1-methyl-3-(3-naphthalen-2-yl-1-phenyl-pyrazol-4-yl)thiourea

Systemtic Name: 1-cyclohexyl-1-methyl-3-(3-naphthalen-2-yl-1-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-cyclohexyl-1-methyl-3-[3-(2-naphthyl)-1-phenyl-pyrazol-4-yl]thiourea CAS Name: 1-cyclohexyl-1-methyl-3-[3-(2-naphthalenyl)-1-phenyl-4-pyrazolyl]thiourea IUPAC Name: 1-cyclohexyl-1-methyl-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)thiourea Traditional Name: 1-cyclohexyl-1-methyl-3-[3-(2-naphthyl)-1-phenyl-pyrazol-4-yl]thiourea Formula: C27H28N4S MolecularWeight: 440.60302

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=S)NC2=CN(N=C2C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5

Isomeric SMILES

CN(C1CCCCC1)C(=S)NC2=CN(N=C2C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4S/c1-30(23-12-4-2-5-13-23)27(32)28-25-19-31(24-14-6-3-7-15-24)29-26(25)22-17-16-20-10-8-9-11-21(20)18-22/h3,6-11,14-19,23H,2,4-5,12-13H2,1H3,(H,28,32)