4-(1-adamantyl)-2-(3-methylsulfanyl-1-phenyl-pyrazol-4-yl)-1,3-thiazole

Systemtic Name: 4-(1-adamantyl)-2-(3-methylsulfanyl-1-phenyl-pyrazol-4-yl)-1,3-thiazole Openeye Name: 4-(1-adamantyl)-2-(3-methylsulfanyl-1-phenyl-pyrazol-4-yl)thiazole CAS Name: 4-(1-adamantyl)-2-[3-(methylthio)-1-phenyl-4-pyrazolyl]thiazole IUPAC Name: 4-(1-adamantyl)-2-(3-methylsulfanyl-1-phenylpyrazol-4-yl)-1,3-thiazole Traditional Name: 4-(1-adamantyl)-2-[3-(methylthio)-1-phenyl-pyrazol-4-yl]thiazole Formula: C23H25N3S2 MolecularWeight: 407.5947

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C=C1C2=NC(=CS2)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CSC1=NN(C=C1C2=NC(=CS2)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C23H25N3S2/c1-27-22-19(13-26(25-22)18-5-3-2-4-6-18)21-24-20(14-28-21)23-10-15-7-16(11-23)9-17(8-15)12-23/h2-6,13-17H,7-12H2,1H3