4-(4-butan-2-ylphenyl)-1-ethylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 4-(4-butan-2-ylphenyl)-1-ethylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 1-ethylsulfanyl-4-(4-sec-butylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 4-(4-butan-2-ylphenyl)-1-(ethylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 4-(4-butan-2-ylphenyl)-1-ethylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 1-(ethylthio)-4-(4-sec-butylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C21H22N4OS MolecularWeight: 378.49058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC

InChI

InChI=1S/C21H22N4OS/c1-4-14(3)15-10-12-16(13-11-15)24-19(26)17-8-6-7-9-18(17)25-20(24)22-23-21(25)27-5-2/h6-14H,4-5H2,1-3H3