methyl (2S)-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: methyl (2S)-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl (2S)-2-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: (2S)-2-[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: (2S)-2-[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)OC)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2S[C@@H](C)C(=O)OC)N3CCCC3

InChI

InChI=1S/C17H22N4O2S/c1-12-6-8-14(9-7-12)21-16(20-10-4-5-11-20)18-19-17(21)24-13(2)15(22)23-3/h6-9,13H,4-5,10-11H2,1-3H3/t13-/m0/s1