1-[4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanyl-3-propyl-phenyl]ethanone

Systemtic Name: 1-[4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanyl-3-propyl-phenyl]ethanone Openeye Name: 1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-hydroxy-3-propyl-phenyl]ethanone CAS Name: 1-[4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-2-hydroxy-3-propylphenyl]ethanone IUPAC Name: 1-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-hydroxy-3-propylphenyl]ethanone Traditional Name: 1-[4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-2-hydroxy-3-propyl-phenyl]ethanone Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=NNC(=N2)N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=NNC(=N2)N

InChI

InChI=1S/C14H18N4O2S/c1-3-4-11-9(5-6-10(8(2)19)12(11)20)7-21-14-16-13(15)17-18-14/h5-6,20H,3-4,7H2,1-2H3,(H3,15,16,17,18)