2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=NC(=O)C3=C(N2)C(=CC=C3)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=NC(=O)C3=C(N2)C(=CC=C3)C

InChI

InChI=1S/C16H19N5O2S/c1-3-4-8-21-15(23)19-20-16(21)24-9-12-17-13-10(2)6-5-7-11(13)14(22)18-12/h5-7H,3-4,8-9H2,1-2H3,(H,19,23)(H,17,18,22)