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

Systemtic Name: N-[[5-ethylsulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[5-ethylsulfanyl-4-(m-tolyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[5-(ethylthio)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[5-ethylsulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[5-(ethylthio)-4-(m-tolyl)-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:

CCSC1=NN=C(N1C2=CC=CC(=C2)C)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCSC1=NN=C(N1C2=CC=CC(=C2)C)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H30N4OS/c1-3-29-22-26-25-20(27(22)19-6-4-5-15(2)7-19)14-24-21(28)23-11-16-8-17(12-23)10-18(9-16)13-23/h4-7,16-18H,3,8-14H2,1-2H3,(H,24,28)