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

Systemtic Name: 1-(cyclohexylmethylsulfanyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 1-(cyclohexylmethylsulfanyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-(cyclohexylmethylthio)-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-(cyclohexylmethylsulfanyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 1-(cyclohexylmethylthio)-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C22H22N4OS/c27-20-18-13-7-8-14-19(18)26-21(25(20)17-11-5-2-6-12-17)23-24-22(26)28-15-16-9-3-1-4-10-16/h2,5-8,11-14,16H,1,3-4,9-10,15H2