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

Systemtic Name: 3-nitro-4-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]benzenecarbonitrile Openeye Name: 3-nitro-4-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]benzonitrile CAS Name: 3-nitro-4-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]benzonitrile IUPAC Name: 3-nitro-4-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]benzonitrile Traditional Name: 3-nitro-4-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]benzonitrile Formula: C14H9N5O2S2 MolecularWeight: 343.38356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC2=NC(=NN2)SC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)CC2=NC(=NN2)SC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H9N5O2S2/c15-8-9-3-4-12(11(6-9)19(20)21)23-14-16-13(17-18-14)7-10-2-1-5-22-10/h1-6H,7H2,(H,16,17,18)