2-(1-adamantyl)-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole

Systemtic Name: 2-(1-adamantyl)-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole Openeye Name: 2-(1-adamantyl)-4-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazole CAS Name: 2-(1-adamantyl)-4-[[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]thiazole IUPAC Name: 2-(1-adamantyl)-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole Traditional Name: 2-(1-adamantyl)-4-[[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]thiazole Formula: C27H27N5S2 MolecularWeight: 485.66678

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC(=CS4)CSC5=NN=C(N5C6=CC=CC=C6)C7=CC=NC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC(=CS4)CSC5=NN=C(N5C6=CC=CC=C6)C7=CC=NC=C7

InChI

InChI=1S/C27H27N5S2/c1-2-4-23(5-3-1)32-24(21-6-8-28-9-7-21)30-31-26(32)34-17-22-16-33-25(29-22)27-13-18-10-19(14-27)12-20(11-18)15-27/h1-9,16,18-20H,10-15,17H2