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

Systemtic Name: 2-[[4-(3-methoxypropyl)-5-oxidanylidene-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-keto-4-(3-methoxypropyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C15H17N5O3S MolecularWeight: 347.39218

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)NN=C1SCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

COCCCN1C(=O)NN=C1SCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C15H17N5O3S/c1-23-8-4-7-20-14(22)18-19-15(20)24-9-12-16-11-6-3-2-5-10(11)13(21)17-12/h2-3,5-6H,4,7-9H2,1H3,(H,18,22)(H,16,17,21)