3-[4-ethyl-5-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-ethyl-5-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-ethyl-5-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-ethyl-5-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylthio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-ethyl-5-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-ethyl-5-[(4-keto-8-methyl-1H-quinazolin-2-yl)methylthio]-1,2,4-triazol-3-yl]propionamide Formula: C17H20N6O2S MolecularWeight: 372.4447

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C(=CC=C3)C)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C(=CC=C3)C)CCC(=O)N

InChI

InChI=1S/C17H20N6O2S/c1-3-23-14(8-7-12(18)24)21-22-17(23)26-9-13-19-15-10(2)5-4-6-11(15)16(25)20-13/h4-6H,3,7-9H2,1-2H3,(H2,18,24)(H,19,20,25)