4-[(4-nitrophenyl)methylsulfanyl]quinazoline

Systemtic Name: 4-[(4-nitrophenyl)methylsulfanyl]quinazoline Openeye Name: 4-[(4-nitrophenyl)methylsulfanyl]quinazoline CAS Name: 4-[(4-nitrophenyl)methylthio]quinazoline IUPAC Name: 4-[(4-nitrophenyl)methylsulfanyl]quinazoline Traditional Name: 4-[(4-nitrobenzyl)thio]quinazoline Formula: C15H11N3O2S MolecularWeight: 297.33174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N3O2S/c19-18(20)12-7-5-11(6-8-12)9-21-15-13-3-1-2-4-14(13)16-10-17-15/h1-8,10H,9H2