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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C11H10N6OS MolecularWeight: 274.3017

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NNC(=N3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NNC(=N3)N

InChI

InChI=1S/C11H10N6OS/c12-10-15-11(17-16-10)19-5-8-13-7-4-2-1-3-6(7)9(18)14-8/h1-4H,5H2,(H,13,14,18)(H3,12,15,16,17)