3-[(4-azanyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxy-quinazolin-4-one

Systemtic Name: 3-[(4-azanyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxy-quinazolin-4-one Openeye Name: 3-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxy-quinazolin-4-one CAS Name: 3-[[(4-amino-1,2,4-triazol-3-yl)thio]methyl]-7-methoxy-4-quinazolinone IUPAC Name: 3-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxyquinazolin-4-one Traditional Name: 3-[[(4-amino-1,2,4-triazol-3-yl)thio]methyl]-7-methoxy-quinazolin-4-one Formula: C12H12N6O2S MolecularWeight: 304.32768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(C=N2)CSC3=NN=CN3N

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C=N2)CSC3=NN=CN3N

InChI

InChI=1S/C12H12N6O2S/c1-20-8-2-3-9-10(4-8)14-5-17(11(9)19)7-21-12-16-15-6-18(12)13/h2-6H,7,13H2,1H3