1-adamantyl-(3-methyl-5-phenyl-4-phenylsulfanyl-pyrazol-1-yl)methanone

Systemtic Name: 1-adamantyl-(3-methyl-5-phenyl-4-phenylsulfanyl-pyrazol-1-yl)methanone Openeye Name: 1-adamantyl-(3-methyl-5-phenyl-4-phenylsulfanyl-pyrazol-1-yl)methanone CAS Name: 1-adamantyl-[3-methyl-5-phenyl-4-(phenylthio)-1-pyrazolyl]methanone IUPAC Name: 1-adamantyl-(3-methyl-5-phenyl-4-phenylsulfanylpyrazol-1-yl)methanone Traditional Name: 1-adamantyl-[3-methyl-5-phenyl-4-(phenylthio)pyrazol-1-yl]methanone Formula: C27H28N2OS MolecularWeight: 428.58902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)C3=CC=CC=C3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)C3=CC=CC=C3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H28N2OS/c1-18-25(31-23-10-6-3-7-11-23)24(22-8-4-2-5-9-22)29(28-18)26(30)27-15-19-12-20(16-27)14-21(13-19)17-27/h2-11,19-21H,12-17H2,1H3