4-[[4-ethyl-5-(3-oxidanylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[4-ethyl-5-(3-oxidanylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-ethyl-5-(3-hydroxypropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-ethyl-5-(3-hydroxypropyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-ethyl-5-(3-hydroxypropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-ethyl-5-(3-hydroxypropyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C15H18N4OS MolecularWeight: 302.39462

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)CCCO

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)CCCO

InChI

InChI=1S/C15H18N4OS/c1-2-19-14(4-3-9-20)17-18-15(19)21-11-13-7-5-12(10-16)6-8-13/h5-8,20H,2-4,9,11H2,1H3