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

Systemtic Name: 2-[[5-(phenylsulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-allyl-5-(benzenesulfonylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(benzenesulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(benzenesulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-allyl-5-(besylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C20H18N4O2S2 MolecularWeight: 410.51252

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC=C2C#N)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC=C2C#N)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H18N4O2S2/c1-2-12-24-19(15-28(25,26)18-10-4-3-5-11-18)22-23-20(24)27-14-17-9-7-6-8-16(17)13-21/h2-11H,1,12,14-15H2