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

Systemtic Name: 2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Openeye Name: 2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one CAS Name: 2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-3-(1H-1,2,4-triazol-5-yl)-4-quinazolinone IUPAC Name: 2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)methylthio]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Formula: C19H13N7O2S MolecularWeight: 403.41722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NC4=CC=CC=C4C(=O)N3C5=NC=NN5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NC4=CC=CC=C4C(=O)N3C5=NC=NN5

InChI

InChI=1S/C19H13N7O2S/c27-16-11-5-1-3-7-13(11)22-15(24-16)9-29-19-23-14-8-4-2-6-12(14)17(28)26(19)18-20-10-21-25-18/h1-8,10H,9H2,(H,20,21,25)(H,22,24,27)