4-(3-methylbutyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 4-(3-methylbutyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-isopentyl-1-thioxo-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 4-(3-methylbutyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 4-(3-methylbutyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-isoamyl-1-thioxo-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C14H16N4OS MolecularWeight: 288.36804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N3C1=NNC3=S

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N3C1=NNC3=S

InChI

InChI=1S/C14H16N4OS/c1-9(2)7-8-17-12(19)10-5-3-4-6-11(10)18-13(17)15-16-14(18)20/h3-6,9H,7-8H2,1-2H3,(H,16,20)