3-[5-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylthio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(6-chloro-4-keto-1H-quinazolin-2-yl)methylthio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C15H15ClN6O2S MolecularWeight: 378.8366

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)CCC(=O)N

InChI

InChI=1S/C15H15ClN6O2S/c1-22-13(5-4-11(17)23)20-21-15(22)25-7-12-18-10-3-2-8(16)6-9(10)14(24)19-12/h2-3,6H,4-5,7H2,1H3,(H2,17,23)(H,18,19,24)