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

Systemtic Name: 4-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole Openeye Name: 4-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-thiazole CAS Name: 4-[[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-2-phenylthiazole IUPAC Name: 4-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole Traditional Name: 4-[[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-2-phenyl-thiazole Formula: C25H30N4S2 MolecularWeight: 450.6625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CSC(=N2)C3=CC=CC=C3)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCN1C(=NN=C1SCC2=CSC(=N2)C3=CC=CC=C3)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H30N4S2/c1-2-29-22(14-25-11-17-8-18(12-25)10-19(9-17)13-25)27-28-24(29)31-16-21-15-30-23(26-21)20-6-4-3-5-7-20/h3-7,15,17-19H,2,8-14,16H2,1H3