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

Systemtic Name: 4-butyl-3-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[(3-methyl-2-quinoxalinyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[(3-methylquinoxalin-2-yl)methylthio]-1H-1,2,4-triazol-5-one Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=NC3=CC=CC=C3N=C2C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=NC3=CC=CC=C3N=C2C

InChI

InChI=1S/C16H19N5OS/c1-3-4-9-21-15(22)19-20-16(21)23-10-14-11(2)17-12-7-5-6-8-13(12)18-14/h5-8H,3-4,9-10H2,1-2H3,(H,19,22)