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

Systemtic Name: methyl 2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H17N3O2S/c1-23-17(22)13-24-18-20-19-16(12-14-8-4-2-5-9-14)21(18)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3