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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H18N4OS/c1-3-12-24-19(17-6-4-5-7-18(17)25-2)22-23-20(24)26-14-16-10-8-15(13-21)9-11-16/h3-11H,1,12,14H2,2H3