N-[[4-(4-ethoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-(4-ethoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-(4-ethoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-(4-ethoxyphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(4-ethoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[5-(methylthio)-4-p-phenetyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C23H30N4O2S MolecularWeight: 426.5749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SC)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SC)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H30N4O2S/c1-3-29-19-6-4-18(5-7-19)27-20(25-26-22(27)30-2)14-24-21(28)23-11-15-8-16(12-23)10-17(9-15)13-23/h4-7,15-17H,3,8-14H2,1-2H3,(H,24,28)