N-[[4-(phenylmethyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-(phenylmethyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[(4-benzyl-5-isopropylsulfanyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide CAS Name: N-[[4-(phenylmethyl)-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[(4-benzyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide Traditional Name: N-[[4-benzyl-5-(isopropylthio)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C24H32N4OS MolecularWeight: 424.60208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NN=C(N1CC2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)SC1=NN=C(N1CC2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H32N4OS/c1-16(2)30-23-27-26-21(28(23)15-17-6-4-3-5-7-17)14-25-22(29)24-11-18-8-19(12-24)10-20(9-18)13-24/h3-7,16,18-20H,8-15H2,1-2H3,(H,25,29)