2-[[5-(naphthalen-1-yloxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(naphthalen-1-yloxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-allyl-5-(1-naphthyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(1-naphthalenyloxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(naphthalen-1-yloxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-allyl-5-(1-naphthoxymethyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)O)COC2=CC=CC3=CC=CC=C32

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)O)COC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C18H17N3O3S/c1-2-10-21-16(19-20-18(21)25-12-17(22)23)11-24-15-9-5-7-13-6-3-4-8-14(13)15/h2-9H,1,10-12H2,(H,22,23)