4-[azanyl-(3-methylimidazol-4-yl)-(6-nitro-4-phenyl-1-benzothiophen-2-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[azanyl-(3-methylimidazol-4-yl)-(6-nitro-4-phenyl-1-benzothiophen-2-yl)methyl]benzenecarbonitrile Openeye Name: 4-[amino-(3-methylimidazol-4-yl)-(6-nitro-4-phenyl-benzothiophen-2-yl)methyl]benzonitrile CAS Name: 4-[amino-(3-methyl-4-imidazolyl)-(6-nitro-4-phenyl-1-benzothiophen-2-yl)methyl]benzonitrile IUPAC Name: 4-[amino-(3-methylimidazol-4-yl)-(6-nitro-4-phenyl-1-benzothiophen-2-yl)methyl]benzonitrile Traditional Name: 4-[amino-(3-methylimidazol-4-yl)-(6-nitro-4-phenyl-benzothiophen-2-yl)methyl]benzonitrile Formula: C26H19N5O2S MolecularWeight: 465.52636

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)(C3=CC4=C(S3)C=C(C=C4C5=CC=CC=C5)[N+](=O)[O-])N

Isomeric SMILES

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)(C3=CC4=C(S3)C=C(C=C4C5=CC=CC=C5)[N+](=O)[O-])N

InChI

InChI=1S/C26H19N5O2S/c1-30-16-29-15-24(30)26(28,19-9-7-17(14-27)8-10-19)25-13-22-21(18-5-3-2-4-6-18)11-20(31(32)33)12-23(22)34-25/h2-13,15-16H,28H2,1H3