1-butylsulfanyl-4-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 1-butylsulfanyl-4-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 1-butylsulfanyl-4-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-(butylthio)-4-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-butylsulfanyl-4-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 1-(butylthio)-4-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C2N1C3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)OC

Isomeric SMILES

CCCCSC1=NN=C2N1C3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)OC

InChI

InChI=1S/C20H20N4O2S/c1-3-4-12-27-20-22-21-19-23(14-8-7-9-15(13-14)26-2)18(25)16-10-5-6-11-17(16)24(19)20/h5-11,13H,3-4,12H2,1-2H3