4-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methylsulfanyl]-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methylsulfanyl]-6-phenyl-pyridine-3-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methylsulfanyl]-6-phenyl-pyridine-3-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methylthio]-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methylsulfanyl]-6-phenylpyridine-3-carbonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-[(4-nitrobenzyl)thio]-6-phenyl-nicotinonitrile Formula: C26H17N3O4S MolecularWeight: 467.49588

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=C3C#N)SCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=C3C#N)SCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C26H17N3O4S/c27-14-22-21(19-8-11-24-25(12-19)33-16-32-24)13-23(18-4-2-1-3-5-18)28-26(22)34-15-17-6-9-20(10-7-17)29(30)31/h1-13H,15-16H2