4-[[4-(2-methoxyethyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-methoxyethyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-benzyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-(2-methoxyethyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-benzyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-benzyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C20H20N4OS MolecularWeight: 364.464

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)CC3=CC=CC=C3

Isomeric SMILES

COCCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C20H20N4OS/c1-25-12-11-24-19(13-16-5-3-2-4-6-16)22-23-20(24)26-15-18-9-7-17(14-21)8-10-18/h2-10H,11-13,15H2,1H3