2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-allyl-5-(4-methoxyphenyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1H-1,2,4-triazol-4-ium-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-allyl-5-(4-methoxyphenyl)-1H-1,2,4-triazol-4-ium-3-yl]thio]acetic acid Formula: C14H16N3O3S+ MolecularWeight: 306.36014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=[N+](C(=NN2)SCC(=O)O)CC=C

Isomeric SMILES

COC1=CC=C(C=C1)C2=[N+](C(=NN2)SCC(=O)O)CC=C

InChI

InChI=1S/C14H15N3O3S/c1-3-8-17-13(10-4-6-11(20-2)7-5-10)15-16-14(17)21-9-12(18)19/h3-7H,1,8-9H2,2H3,(H,18,19)/p+1