2-[[4-(phenylmethyl)-5-(quinolin-7-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-(phenylmethyl)-5-(quinolin-7-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-benzyl-5-(7-quinolyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(phenylmethyl)-5-(7-quinolinyloxymethyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-benzyl-5-(quinolin-7-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-benzyl-5-(7-quinolyloxymethyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C21H17N4O3S- MolecularWeight: 405.44968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)[O-])COC3=CC4=C(C=CC=N4)C=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)[O-])COC3=CC4=C(C=CC=N4)C=C3

InChI

InChI=1S/C21H18N4O3S/c26-20(27)14-29-21-24-23-19(25(21)12-15-5-2-1-3-6-15)13-28-17-9-8-16-7-4-10-22-18(16)11-17/h1-11H,12-14H2,(H,26,27)/p-1