5-nitro-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]benzenecarbonitrile Openeye Name: 5-nitro-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]benzonitrile CAS Name: 5-nitro-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]benzonitrile IUPAC Name: 5-nitro-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]benzonitrile Traditional Name: 5-nitro-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]benzonitrile Formula: C19H11N5O2S2 MolecularWeight: 405.45294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C4=CC=CS4

InChI

InChI=1S/C19H11N5O2S2/c20-12-13-11-15(24(25)26)8-9-16(13)28-19-22-21-18(17-7-4-10-27-17)23(19)14-5-2-1-3-6-14/h1-11H