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

Systemtic Name: 3-[(3-methylquinoxalin-2-yl)methylsulfanyl]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 3-[(3-methyl-2-quinoxalinyl)methylthio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[(3-methylquinoxalin-2-yl)methylthio]-1H-1,2,4-triazol-5-one Formula: C19H17N5OS MolecularWeight: 363.43618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CSC3=NNC(=O)N3CC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CSC3=NNC(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C19H17N5OS/c1-13-17(21-16-10-6-5-9-15(16)20-13)12-26-19-23-22-18(25)24(19)11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,22,25)