4-methyl-1-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 4-methyl-1-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-methyl-1-[4-oxo-4-(2-thienyl)butyl]sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 4-methyl-1-[(4-oxo-4-thiophen-2-ylbutyl)thio]-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 4-methyl-1-(4-oxo-4-thiophen-2-ylbutyl)sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 1-[[4-keto-4-(2-thienyl)butyl]thio]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C18H16N4O2S2 MolecularWeight: 384.47524

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCCCC(=O)C4=CC=CS4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCCCC(=O)C4=CC=CS4

InChI

InChI=1S/C18H16N4O2S2/c1-21-16(24)12-6-2-3-7-13(12)22-17(21)19-20-18(22)26-11-4-8-14(23)15-9-5-10-25-15/h2-3,5-7,9-10H,4,8,11H2,1H3