N-(2-methoxyphenyl)-2-[5-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethanamide

Systemtic Name: N-(2-methoxyphenyl)-2-[5-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethanamide Openeye Name: 2-[4-allyl-5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-(2-methoxyphenyl)acetamide CAS Name: N-(2-methoxyphenyl)-2-[5-[(4-oxo-1H-quinazolin-2-yl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-(2-methoxyphenyl)-2-[5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide Traditional Name: 2-[4-allyl-5-[(4-keto-1H-quinazolin-2-yl)methylthio]-1,2,4-triazol-3-yl]-N-(2-methoxyphenyl)acetamide Formula: C23H22N6O3S MolecularWeight: 462.52418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CC2=NN=C(N2CC=C)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CC2=NN=C(N2CC=C)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H22N6O3S/c1-3-12-29-20(13-21(30)25-17-10-6-7-11-18(17)32-2)27-28-23(29)33-14-19-24-16-9-5-4-8-15(16)22(31)26-19/h3-11H,1,12-14H2,2H3,(H,25,30)(H,24,26,31)