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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-allyl-5-(4-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=C(C=C1)C2=NN=C(N2CC=C)SCC3=CC=CC=C3C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=CC=CC=C3C#N

InChI

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