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

Systemtic Name: 2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C14H15N5O2S MolecularWeight: 317.3662

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C14H15N5O2S/c1-2-7-19-13(21)17-18-14(19)22-8-11-15-10-6-4-3-5-9(10)12(20)16-11/h3-6H,2,7-8H2,1H3,(H,17,21)(H,15,16,20)