N-(1-adamantylmethyl)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-methyl-acetamide CAS Name: N-(1-adamantylmethyl)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methylacetamide IUPAC Name: N-(1-adamantylmethyl)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methylacetamide Traditional Name: N-(1-adamantylmethyl)-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-methyl-acetamide Formula: C23H30N4O2S MolecularWeight: 426.5749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC12CC3CC(C1)CC(C3)C2)C(=O)CN4C(=NNC4=S)C5=CC=C(C=C5)OC

Isomeric SMILES

CN(CC12CC3CC(C1)CC(C3)C2)C(=O)CN4C(=NNC4=S)C5=CC=C(C=C5)OC

InChI

InChI=1S/C23H30N4O2S/c1-26(14-23-10-15-7-16(11-23)9-17(8-15)12-23)20(28)13-27-21(24-25-22(27)30)18-3-5-19(29-2)6-4-18/h3-6,15-17H,7-14H2,1-2H3,(H,25,30)