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

Systemtic Name: methyl 2-[[5-(2-azanylethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[5-(2-aminoethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[5-(2-aminoethyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[5-(2-aminoethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[5-(2-aminoethyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NN=C(N1CCC2=CC=CC=C2)CCN

Isomeric SMILES

CC(C(=O)OC)SC1=NN=C(N1CCC2=CC=CC=C2)CCN

InChI

InChI=1S/C16H22N4O2S/c1-12(15(21)22-2)23-16-19-18-14(8-10-17)20(16)11-9-13-6-4-3-5-7-13/h3-7,12H,8-11,17H2,1-2H3