2-[[4-azanyl-5-(3-methylquinoxalin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[4-azanyl-5-(3-methylquinoxalin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-amino-5-(3-methylquinoxalin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-amino-5-(3-methyl-2-quinoxalinyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-amino-5-(3-methylquinoxalin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-amino-5-(3-methylquinoxalin-2-yl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C19H16N6OS MolecularWeight: 376.43494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1C3=NN=C(N3N)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1C3=NN=C(N3N)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H16N6OS/c1-12-17(22-15-10-6-5-9-14(15)21-12)18-23-24-19(25(18)20)27-11-16(26)13-7-3-2-4-8-13/h2-10H,11,20H2,1H3