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

Systemtic Name: 2-[[4-prop-2-enyl-5-[(4-propylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-allyl-5-[(4-propylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-prop-2-enyl-5-[(4-propylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-prop-2-enyl-5-[(4-propylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-allyl-5-[(4-propylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetic acid Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)O

InChI

InChI=1S/C17H21N3O3S/c1-3-5-13-6-8-14(9-7-13)23-11-15-18-19-17(20(15)10-4-2)24-12-16(21)22/h4,6-9H,2-3,5,10-12H2,1H3,(H,21,22)