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

Systemtic Name: 3-[4-(2-methylpropyl)-5-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-isobutyl-5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-(2-methylpropyl)-5-[(4-oxo-1H-quinazolin-2-yl)methylthio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-(2-methylpropyl)-5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-isobutyl-5-[(4-keto-1H-quinazolin-2-yl)methylthio]-1,2,4-triazol-3-yl]propionamide Formula: C18H22N6O2S MolecularWeight: 386.47128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CCC(=O)N

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CCC(=O)N

InChI

InChI=1S/C18H22N6O2S/c1-11(2)9-24-16(8-7-14(19)25)22-23-18(24)27-10-15-20-13-6-4-3-5-12(13)17(26)21-15/h3-6,11H,7-10H2,1-2H3,(H2,19,25)(H,20,21,26)