2-[(Z)-2-(4-nitrophenyl)sulfanyl-3-oxidanyl-3-phenyl-1-thiophen-2-yl-prop-2-enyl]propanedinitrile

Systemtic Name: 2-[(Z)-2-(4-nitrophenyl)sulfanyl-3-oxidanyl-3-phenyl-1-thiophen-2-yl-prop-2-enyl]propanedinitrile Openeye Name: 2-[(Z)-3-hydroxy-2-(4-nitrophenyl)sulfanyl-3-phenyl-1-(2-thienyl)allyl]propanedinitrile CAS Name: 2-[(Z)-3-hydroxy-2-[(4-nitrophenyl)thio]-3-phenyl-1-thiophen-2-ylprop-2-enyl]propanedinitrile IUPAC Name: 2-[(Z)-3-hydroxy-2-(4-nitrophenyl)sulfanyl-3-phenyl-1-thiophen-2-ylprop-2-enyl]propanedinitrile Traditional Name: 2-[(Z)-3-hydroxy-2-[(4-nitrophenyl)thio]-3-phenyl-1-(2-thienyl)allyl]malononitrile Formula: C22H15N3O3S2 MolecularWeight: 433.5028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C(C(C2=CC=CS2)C(C#N)C#N)SC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)/C(=C(\C(C2=CC=CS2)C(C#N)C#N)/SC3=CC=C(C=C3)[N+](=O)[O-])/O

InChI

InChI=1S/C22H15N3O3S2/c23-13-16(14-24)20(19-7-4-12-29-19)22(21(26)15-5-2-1-3-6-15)30-18-10-8-17(9-11-18)25(27)28/h1-12,16,20,26H/b22-21-