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

Systemtic Name: N-[(4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide Openeye Name: N-[(5-isopropylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide CAS Name: N-[[4-phenyl-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[(4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide Traditional Name: N-[[5-(isopropylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C23H30N4OS MolecularWeight: 410.5755

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)SC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H30N4OS/c1-15(2)29-22-26-25-20(27(22)19-6-4-3-5-7-19)14-24-21(28)23-11-16-8-17(12-23)10-18(9-16)13-23/h3-7,15-18H,8-14H2,1-2H3,(H,24,28)