4-[3-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]-2-hydroxy-propoxy]benzonitrile Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(COC2=CC=C(C=C2)C#N)O)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(COC2=CC=C(C=C2)C#N)O)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S/c1-2-25-20(12-16-6-4-3-5-7-16)23-24-21(25)28-15-18(26)14-27-19-10-8-17(13-22)9-11-19/h3-11,18,26H,2,12,14-15H2,1H3