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

Systemtic Name: 3-[(3-methylquinoxalin-2-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(3-methylquinoxalin-2-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(3-methyl-2-quinoxalinyl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(3-methylquinoxalin-2-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(3-methylquinoxalin-2-yl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CSC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CSC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C20H19N5OS/c1-14-18(22-17-10-6-5-9-16(17)21-14)13-27-20-24-23-19(26)25(20)12-11-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,23,26)