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

Systemtic Name: N-[[4-methyl-5-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Openeye Name: N-[[4-methyl-5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide CAS Name: N-[[4-methyl-5-[(4-oxo-1H-quinazolin-2-yl)methylthio]-1,2,4-triazol-3-yl]methyl]-2-furancarboxamide IUPAC Name: N-[[4-methyl-5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Traditional Name: N-[[5-[(4-keto-1H-quinazolin-2-yl)methylthio]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-furamide Formula: C18H16N6O3S MolecularWeight: 396.42304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CNC(=O)C4=CC=CO4

Isomeric SMILES

CN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CNC(=O)C4=CC=CO4

InChI

InChI=1S/C18H16N6O3S/c1-24-15(9-19-17(26)13-7-4-8-27-13)22-23-18(24)28-10-14-20-12-6-3-2-5-11(12)16(25)21-14/h2-8H,9-10H2,1H3,(H,19,26)(H,20,21,25)