N-cyclohexyl-4-(2-methylpropyl)-5-oxidanylidene-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Systemtic Name: N-cyclohexyl-4-(2-methylpropyl)-5-oxidanylidene-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide Openeye Name: N-cyclohexyl-4-isobutyl-5-oxo-1-thioxo-2H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide CAS Name: N-cyclohexyl-4-(2-methylpropyl)-5-oxo-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide IUPAC Name: N-cyclohexyl-4-(2-methylpropyl)-5-oxo-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide Traditional Name: N-cyclohexyl-4-isobutyl-5-keto-1-thioxo-2H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCCC3)N4C1=NNC4=S

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCCC3)N4C1=NNC4=S

InChI

InChI=1S/C20H25N5O2S/c1-12(2)11-24-18(27)15-9-8-13(17(26)21-14-6-4-3-5-7-14)10-16(15)25-19(24)22-23-20(25)28/h8-10,12,14H,3-7,11H2,1-2H3,(H,21,26)(H,23,28)