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

Systemtic Name: 4-[2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzonitrile CAS Name: 4-[2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzonitrile Traditional Name: 4-[2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]ethoxy]benzonitrile Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC2=NC(=NN2)SCCOC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCC(C1)CCC2=NC(=NN2)SCCOC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H22N4OS/c19-13-15-5-8-16(9-6-15)23-11-12-24-18-20-17(21-22-18)10-7-14-3-1-2-4-14/h5-6,8-9,14H,1-4,7,10-12H2,(H,20,21,22)