2-[[5-[(5-chloranylquinolin-8-yl)oxymethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[5-[(5-chloranylquinolin-8-yl)oxymethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-[(5-chloro-8-quinolyl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-[(5-chloro-8-quinolinyl)oxymethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-[(5-chloroquinolin-8-yl)oxymethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-[(5-chloro-8-quinolyl)oxymethyl]-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H16ClN5O2S MolecularWeight: 389.85924

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N)COC2=C3C(=C(C=C2)Cl)C=CC=N3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N)COC2=C3C(=C(C=C2)Cl)C=CC=N3

InChI

InChI=1S/C17H16ClN5O2S/c1-2-8-23-15(21-22-17(23)26-10-14(19)24)9-25-13-6-5-12(18)11-4-3-7-20-16(11)13/h2-7H,1,8-10H2,(H2,19,24)