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

Systemtic Name: 4-[2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzonitrile CAS Name: 4-[2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzonitrile Traditional Name: 4-[2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethoxy]benzonitrile Formula: C22H18N4OS2 MolecularWeight: 418.53452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCCOC3=CC=C(C=C3)C#N)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCCOC3=CC=C(C=C3)C#N)C4=CC=CS4

InChI

InChI=1S/C22H18N4OS2/c23-15-17-8-10-19(11-9-17)27-12-14-29-22-25-24-21(20-7-4-13-28-20)26(22)16-18-5-2-1-3-6-18/h1-11,13H,12,14,16H2