(E)-3-(5-nitrothiophen-2-yl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(5-nitrothiophen-2-yl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)prop-2-enenitrile Openeye Name: (E)-3-(5-nitro-2-thienyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)prop-2-enenitrile CAS Name: (E)-3-(5-nitro-2-thiophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)-2-propenenitrile IUPAC Name: (E)-3-(5-nitrothiophen-2-yl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)prop-2-enenitrile Traditional Name: (E)-3-(5-nitro-2-thienyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acrylonitrile Formula: C15H9N5O2S MolecularWeight: 323.32926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=N2)C(=CC3=CC=C(S3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=N2)/C(=C/C3=CC=C(S3)[N+](=O)[O-])/C#N

InChI

InChI=1S/C15H9N5O2S/c16-9-11(8-12-6-7-13(23-12)20(21)22)15-17-14(18-19-15)10-4-2-1-3-5-10/h1-8H,(H,17,18,19)/b11-8+