4-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]quinazoline

Systemtic Name: 4-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]quinazoline Openeye Name: 4-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]quinazoline CAS Name: 4-[(2-methoxy-5-nitrophenyl)methylthio]quinazoline IUPAC Name: 4-[(2-methoxy-5-nitrophenyl)methylsulfanyl]quinazoline Traditional Name: 4-[(2-methoxy-5-nitro-benzyl)thio]quinazoline Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C16H13N3O3S/c1-22-15-7-6-12(19(20)21)8-11(15)9-23-16-13-4-2-3-5-14(13)17-10-18-16/h2-8,10H,9H2,1H3