1-(2-oxidanylidenecyclohexyl)sulfanyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 1-(2-oxidanylidenecyclohexyl)sulfanyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 1-(2-oxocyclohexyl)sulfanyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-[(2-oxocyclohexyl)thio]-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-(2-oxocyclohexyl)sulfanyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 1-[(2-ketocyclohexyl)thio]-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NN=C3N2C4=CC=CC=C4C(=O)N3C5=CC=CC=C5

Isomeric SMILES

C1CCC(=O)C(C1)SC2=NN=C3N2C4=CC=CC=C4C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C21H18N4O2S/c26-17-12-6-7-13-18(17)28-21-23-22-20-24(14-8-2-1-3-9-14)19(27)15-10-4-5-11-16(15)25(20)21/h1-5,8-11,18H,6-7,12-13H2