N-(2-methyl-3-nitro-phenyl)-2-[(5-oxidanylidene-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-[(5-oxidanylidene-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]ethanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide CAS Name: N-(2-methyl-3-nitrophenyl)-2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]acetamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide Traditional Name: 2-[(5-keto-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C21H20N6O4S MolecularWeight: 452.4863

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)NC4=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)NC4=C(C(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H20N6O4S/c1-3-11-25-19(29)14-7-4-5-9-17(14)26-20(25)23-24-21(26)32-12-18(28)22-15-8-6-10-16(13(15)2)27(30)31/h4-10H,3,11-12H2,1-2H3,(H,22,28)