2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C13H13N5OS MolecularWeight: 287.34022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=NN=C(N1C)SCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C13H13N5OS/c1-8-16-17-13(18(8)2)20-7-11-14-10-6-4-3-5-9(10)12(19)15-11/h3-6H,7H2,1-2H3,(H,14,15,19)