3-[(2-chloranylquinolin-3-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(2-chloranylquinolin-3-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[(2-chloro-3-quinolyl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[(2-chloro-3-quinolinyl)methylthio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2-chloroquinolin-3-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-chloro-3-quinolyl)methylthio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Formula: C16H17ClN4O2S MolecularWeight: 364.84978

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)NN=C1SCC2=CC3=CC=CC=C3N=C2Cl

Isomeric SMILES

COCCCN1C(=O)NN=C1SCC2=CC3=CC=CC=C3N=C2Cl

InChI

InChI=1S/C16H17ClN4O2S/c1-23-8-4-7-21-15(22)19-20-16(21)24-10-12-9-11-5-2-3-6-13(11)18-14(12)17/h2-3,5-6,9H,4,7-8,10H2,1H3,(H,19,22)