S-(5-oxidanylidene-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl) 4-methylbenzenecarbothioate

Systemtic Name: S-(5-oxidanylidene-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl) 4-methylbenzenecarbothioate Openeye Name: S-(5-oxo-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl) 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid S-(5-oxo-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl) ester IUPAC Name: S-(5-oxo-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl) 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-(5-keto-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl) ester Formula: C23H16N4O2S MolecularWeight: 412.46374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SC2=NN=C3N2C4=CC=CC=C4C(=O)N3C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SC2=NN=C3N2C4=CC=CC=C4C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C23H16N4O2S/c1-15-11-13-16(14-12-15)21(29)30-23-25-24-22-26(17-7-3-2-4-8-17)20(28)18-9-5-6-10-19(18)27(22)23/h2-14H,1H3