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

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one CAS Name: 2-[(4-nitrophenyl)methylthio]-3-(1H-1,2,4-triazol-5-yl)-4-quinazolinone IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Traditional Name: 2-[(4-nitrobenzyl)thio]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Formula: C17H12N6O3S MolecularWeight: 380.38058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C4=NC=NN4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C4=NC=NN4

InChI

InChI=1S/C17H12N6O3S/c24-15-13-3-1-2-4-14(13)20-17(22(15)16-18-10-19-21-16)27-9-11-5-7-12(8-6-11)23(25)26/h1-8,10H,9H2,(H,18,19,21)