2-[(4-nitrophenyl)methylsulfanyl]-1H-quinazoline-4-thione

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-1H-quinazoline-4-thione Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-1H-quinazoline-4-thione CAS Name: 2-[(4-nitrophenyl)methylthio]-1H-quinazoline-4-thione IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-1H-quinazoline-4-thione Traditional Name: 2-[(4-nitrobenzyl)thio]-1H-quinazoline-4-thione Formula: C15H11N3O2S2 MolecularWeight: 329.39674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N3O2S2/c19-18(20)11-7-5-10(6-8-11)9-22-15-16-13-4-2-1-3-12(13)14(21)17-15/h1-8H,9H2,(H,16,17,21)