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

Systemtic Name: 2-[[4-(2-methoxyethyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-benzyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-(2-methoxyethyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-benzyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[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=CC=C2C#N)CC3=CC=CC=C3

Isomeric SMILES

COCCN1C(=NN=C1SCC2=CC=CC=C2C#N)CC3=CC=CC=C3

InChI

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