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

Systemtic Name: 1-[2-oxidanyl-3-propyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]ethanone Openeye Name: 1-[2-hydroxy-3-propyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]ethanone CAS Name: 1-[2-hydroxy-3-propyl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]ethanone IUPAC Name: 1-[2-hydroxy-3-propyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]ethanone Traditional Name: 1-[2-hydroxy-3-propyl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]ethanone Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=NC=NN2

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=NC=NN2

InChI

InChI=1S/C14H17N3O2S/c1-3-4-12-10(7-20-14-15-8-16-17-14)5-6-11(9(2)18)13(12)19/h5-6,8,19H,3-4,7H2,1-2H3,(H,15,16,17)