2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)ethanamide

Systemtic Name: 2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)ethanamide Openeye Name: 2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)acetamide CAS Name: 2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-N-(1H-1,2,4-triazol-5-yl)acetamide IUPAC Name: 2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)acetamide Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)methylthio]-N-(1H-1,2,4-triazol-5-yl)acetamide Formula: C13H12N6O2S MolecularWeight: 316.33838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CSCC(=O)NC3=NC=NN3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CSCC(=O)NC3=NC=NN3

InChI

InChI=1S/C13H12N6O2S/c20-11(18-13-14-7-15-19-13)6-22-5-10-16-9-4-2-1-3-8(9)12(21)17-10/h1-4,7H,5-6H2,(H,16,17,21)(H2,14,15,18,19,20)