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

Systemtic Name: 4-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-(4-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C21H16N4OS2 MolecularWeight: 404.50794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CC=CS4

InChI

InChI=1S/C21H16N4OS2/c1-26-18-10-8-17(9-11-18)25-20(19-3-2-12-27-19)23-24-21(25)28-14-16-6-4-15(13-22)5-7-16/h2-12H,14H2,1H3