2-[1-[(4-methyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[1-[(4-methyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[1-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[1-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[1-[(5-keto-4-methyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-1H-quinazolin-4-one Formula: C13H13N5O2S MolecularWeight: 303.33962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NNC(=O)N3C

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NNC(=O)N3C

InChI

InChI=1S/C13H13N5O2S/c1-7(21-13-17-16-12(20)18(13)2)10-14-9-6-4-3-5-8(9)11(19)15-10/h3-7H,1-2H3,(H,16,20)(H,14,15,19)