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

Systemtic Name: 1-[4-[3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]propoxy]-3-propyl-phenyl]-2-oxidanyl-ethanone Openeye Name: 1-[4-[3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propoxy]-3-propyl-phenyl]-2-hydroxy-ethanone CAS Name: 1-[4-[3-[(5-amino-1H-1,2,4-triazol-3-yl)thio]propoxy]-3-propylphenyl]-2-hydroxyethanone IUPAC Name: 1-[4-[3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propoxy]-3-propylphenyl]-2-hydroxyethanone Traditional Name: 1-[4-[3-[(5-amino-1H-1,2,4-triazol-3-yl)thio]propoxy]-3-propyl-phenyl]-2-hydroxy-ethanone Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)CO)OCCCSC2=NNC(=N2)N

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)CO)OCCCSC2=NNC(=N2)N

InChI

InChI=1S/C16H22N4O3S/c1-2-4-12-9-11(13(22)10-21)5-6-14(12)23-7-3-8-24-16-18-15(17)19-20-16/h5-6,9,21H,2-4,7-8,10H2,1H3,(H3,17,18,19,20)