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

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C15H17N5O2S MolecularWeight: 331.39278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C15H17N5O2S/c1-2-3-8-20-14(22)18-19-15(20)23-9-12-16-11-7-5-4-6-10(11)13(21)17-12/h4-7H,2-3,8-9H2,1H3,(H,18,22)(H,16,17,21)