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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CC=C)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CC=C)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

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