2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-sulfanyl-methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-sulfanyl-methyl]-1H-quinazolin-4-one Openeye Name: 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-sulfanyl-methyl]-1H-quinazolin-4-one CAS Name: 2-[mercapto-[3-(methylthio)-1,2,4-thiadiazol-5-yl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[mercapto-[3-(methylthio)-1,2,4-thiadiazol-5-yl]methyl]-1H-quinazolin-4-one Formula: C12H10N4OS3 MolecularWeight: 322.429

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NSC(=N1)C(C2=NC(=O)C3=CC=CC=C3N2)S

Isomeric SMILES

CSC1=NSC(=N1)C(C2=NC(=O)C3=CC=CC=C3N2)S

InChI

InChI=1S/C12H10N4OS3/c1-19-12-15-11(20-16-12)8(18)9-13-7-5-3-2-4-6(7)10(17)14-9/h2-5,8,18H,1H3,(H,13,14,17)