1-methoxy-4-(4-nitrophenyl)sulfanyl-3-phenyl-1H-isochromene

Systemtic Name: 1-methoxy-4-(4-nitrophenyl)sulfanyl-3-phenyl-1H-isochromene Openeye Name: 1-methoxy-4-(4-nitrophenyl)sulfanyl-3-phenyl-1H-isochromene CAS Name: 1-methoxy-4-[(4-nitrophenyl)thio]-3-phenyl-1H-2-benzopyran IUPAC Name: 1-methoxy-4-(4-nitrophenyl)sulfanyl-3-phenyl-1H-isochromene Traditional Name: 1-methoxy-4-[(4-nitrophenyl)thio]-3-phenyl-1H-isochromene Formula: C22H17NO4S MolecularWeight: 391.43968

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Descriptors Computed from Structure

Canonical SMILES:

COC1C2=CC=CC=C2C(=C(O1)C3=CC=CC=C3)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1C2=CC=CC=C2C(=C(O1)C3=CC=CC=C3)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17NO4S/c1-26-22-19-10-6-5-9-18(19)21(20(27-22)15-7-3-2-4-8-15)28-17-13-11-16(12-14-17)23(24)25/h2-14,22H,1H3