1-(1-adamantyl)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C14H20N4OS MolecularWeight: 292.3998

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NNC(=N4)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NNC(=N4)N

InChI

InChI=1S/C14H20N4OS/c15-12-16-13(18-17-12)20-7-11(19)14-4-8-1-9(5-14)3-10(2-8)6-14/h8-10H,1-7H2,(H3,15,16,17,18)