3-[(4-azanylquinazolin-2-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(4-azanylquinazolin-2-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(4-aminoquinazolin-2-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(4-amino-2-quinazolinyl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(4-aminoquinazolin-2-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(4-aminoquinazolin-2-yl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C19H18N6OS MolecularWeight: 378.45082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C19H18N6OS/c20-17-14-8-4-5-9-15(14)21-16(22-17)12-27-19-24-23-18(26)25(19)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,23,26)(H2,20,21,22)