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

Systemtic Name: N-(2-methylphenyl)-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-(o-tolyl)acetamide CAS Name: N-(2-methylphenyl)-2-[5-[(4-oxo-1H-quinazolin-2-yl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-(2-methylphenyl)-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-(o-tolyl)acetamide Formula: C23H22N6O2S MolecularWeight: 446.52478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CC2=NN=C(N2CC=C)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CC2=NN=C(N2CC=C)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H22N6O2S/c1-3-12-29-20(13-21(30)25-17-10-6-4-8-15(17)2)27-28-23(29)32-14-19-24-18-11-7-5-9-16(18)22(31)26-19/h3-11H,1,12-14H2,2H3,(H,25,30)(H,24,26,31)