4-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-allyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-allyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)COC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)COC3=CC=CC=C3

InChI

InChI=1S/C20H18N4OS/c1-2-12-24-19(14-25-18-6-4-3-5-7-18)22-23-20(24)26-15-17-10-8-16(13-21)9-11-17/h2-11H,1,12,14-15H2