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

Systemtic Name: 4-[2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzonitrile CAS Name: 4-[2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzonitrile Traditional Name: 4-[2-[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]thio]ethoxy]benzonitrile Formula: C17H16N4OS2 MolecularWeight: 356.46514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCN2C=NN=C2SCCOC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CSC(=C1)CCN2C=NN=C2SCCOC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H16N4OS2/c18-12-14-3-5-15(6-4-14)22-9-11-24-17-20-19-13-21(17)8-7-16-2-1-10-23-16/h1-6,10,13H,7-9,11H2