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

Systemtic Name: N-[[4-(3-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[5-methylsulfanyl-4-(m-tolyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-(3-methylphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(3-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[5-(methylthio)-4-(m-tolyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SC)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SC)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28N4OS/c1-14-4-3-5-18(6-14)26-19(24-25-21(26)28-2)13-23-20(27)22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,15-17H,7-13H2,1-2H3,(H,23,27)