methyl 2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: methyl 2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]propionic acid methyl ester Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NN=C(N1C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)OC)SC1=NN=C(N1C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O2S/c1-14(18(23)24-2)25-19-21-20-17(13-15-9-5-3-6-10-15)22(19)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3