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

Systemtic Name: 4-[2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzonitrile CAS Name: 4-[2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzonitrile Traditional Name: 4-[2-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]ethoxy]benzonitrile Formula: C16H14N4OS2 MolecularWeight: 342.43856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC2=NC(=NN2)SCCOC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CSC(=C1)CC2=NC(=NN2)SCCOC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H14N4OS2/c17-11-12-3-5-13(6-4-12)21-7-9-23-16-18-15(19-20-16)10-14-2-1-8-22-14/h1-6,8H,7,9-10H2,(H,18,19,20)