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

Systemtic Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[(4-ethyl-5-veratryl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC=C2C#N)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2C#N)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H22N4O2S/c1-4-25-20(12-15-9-10-18(26-2)19(11-15)27-3)23-24-21(25)28-14-17-8-6-5-7-16(17)13-22/h5-11H,4,12,14H2,1-3H3