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

Systemtic Name: N-[[5-ethylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[5-ethylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[5-(ethylthio)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[5-ethylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[5-(ethylthio)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O2S/c1-3-30-22-26-25-20(27(22)18-4-6-19(29-2)7-5-18)14-24-21(28)23-11-15-8-16(12-23)10-17(9-15)13-23/h4-7,15-17H,3,8-14H2,1-2H3,(H,24,28)