N-(4-methoxyphenyl)-2-[5-[(4-oxidanylidene-4aH-quinazolin-2-yl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]ethanamide

Systemtic Name: N-(4-methoxyphenyl)-2-[5-[(4-oxidanylidene-4aH-quinazolin-2-yl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]ethanamide Openeye Name: N-(4-methoxyphenyl)-2-[5-[(4-oxo-4aH-quinazolin-2-yl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]acetamide CAS Name: N-(4-methoxyphenyl)-2-[5-[(4-oxo-4aH-quinazolin-2-yl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-(4-methoxyphenyl)-2-[5-[(4-oxo-4aH-quinazolin-2-yl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]acetamide Traditional Name: 2-[5-[(4-keto-4aH-quinazolin-2-yl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)acetamide Formula: C26H22N6O3S MolecularWeight: 498.55628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CC2=NN=C(N2C3=CC=CC=C3)SCC4=NC(=O)C5C=CC=CC5=N4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CC2=NN=C(N2C3=CC=CC=C3)SCC4=NC(=O)C5C=CC=CC5=N4

InChI

InChI=1S/C26H22N6O3S/c1-35-19-13-11-17(12-14-19)27-24(33)15-23-30-31-26(32(23)18-7-3-2-4-8-18)36-16-22-28-21-10-6-5-9-20(21)25(34)29-22/h2-14,20H,15-16H2,1H3,(H,27,33)