methyl 4-[[4-(2-azanylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[4-(2-azanylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-(2-aminoethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-(2-aminoethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-aminoethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-(2-aminoethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CCN)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CCN)C3=CC=CC=C3

InChI

InChI=1S/C19H20N4O2S/c1-25-18(24)16-9-7-14(8-10-16)13-26-19-22-21-17(23(19)12-11-20)15-5-3-2-4-6-15/h2-10H,11-13,20H2,1H3