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

Systemtic Name: N-[[5-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Openeye Name: N-[[4-allyl-5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide CAS Name: N-[[5-[(4-oxo-1H-quinazolin-2-yl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-furancarboxamide IUPAC Name: N-[[5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Traditional Name: N-[[4-allyl-5-[(4-keto-1H-quinazolin-2-yl)methylthio]-1,2,4-triazol-3-yl]methyl]-2-furamide Formula: C20H18N6O3S MolecularWeight: 422.46032

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CNC(=O)C4=CC=CO4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CNC(=O)C4=CC=CO4

InChI

InChI=1S/C20H18N6O3S/c1-2-9-26-17(11-21-19(28)15-8-5-10-29-15)24-25-20(26)30-12-16-22-14-7-4-3-6-13(14)18(27)23-16/h2-8,10H,1,9,11-12H2,(H,21,28)(H,22,23,27)