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

Systemtic Name: 3-[(2-chloranylquinolin-3-yl)methylsulfanyl]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[(2-chloro-3-quinolyl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 3-[(2-chloro-3-quinolinyl)methylthio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[(2-chloroquinolin-3-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[(2-chloro-3-quinolyl)methylthio]-1H-1,2,4-triazol-5-one Formula: C19H15ClN4OS MolecularWeight: 382.8666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)NN=C2SCC3=CC4=CC=CC=C4N=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)NN=C2SCC3=CC4=CC=CC=C4N=C3Cl

InChI

InChI=1S/C19H15ClN4OS/c20-17-15(10-14-8-4-5-9-16(14)21-17)12-26-19-23-22-18(25)24(19)11-13-6-2-1-3-7-13/h1-10H,11-12H2,(H,22,25)