N-(4-oxidanylidene-2-phenyl-quinazolin-3-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-oxidanylidene-2-phenyl-quinazolin-3-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-oxo-2-phenyl-quinazolin-3-yl)acetamide CAS Name: N-(4-oxo-2-phenyl-3-quinazolinyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-oxo-2-phenylquinazolin-3-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-keto-2-phenyl-quinazolin-3-yl)acetamide Formula: C26H21N7O2S MolecularWeight: 495.55564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C26H21N7O2S/c1-2-16-32-24(19-12-14-27-15-13-19)29-30-26(32)36-17-22(34)31-33-23(18-8-4-3-5-9-18)28-21-11-7-6-10-20(21)25(33)35/h2-15H,1,16-17H2,(H,31,34)