6-chloranyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C12H10ClN5OS MolecularWeight: 307.7587

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl

Isomeric SMILES

CN1C=NN=C1SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C12H10ClN5OS/c1-18-6-14-17-12(18)20-5-10-15-9-3-2-7(13)4-8(9)11(19)16-10/h2-4,6H,5H2,1H3,(H,15,16,19)