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

Systemtic Name: N-[[5-phenacylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[(4-benzyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide CAS Name: N-[[5-(phenacylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[(4-benzyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide Traditional Name: N-[[4-benzyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C29H32N4O2S MolecularWeight: 500.65498

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=NN=C(N4CC5=CC=CC=C5)SCC(=O)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=NN=C(N4CC5=CC=CC=C5)SCC(=O)C6=CC=CC=C6

InChI

InChI=1S/C29H32N4O2S/c34-25(24-9-5-2-6-10-24)19-36-28-32-31-26(33(28)18-20-7-3-1-4-8-20)17-30-27(35)29-14-21-11-22(15-29)13-23(12-21)16-29/h1-10,21-23H,11-19H2,(H,30,35)