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

Systemtic Name: methyl (2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: methyl (2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: (2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: (2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]propionic acid methyl ester Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NN=C(N1C2=CC=CC=C2)C3CC3

Isomeric SMILES

C[C@@H](C(=O)OC)SC1=NN=C(N1C2=CC=CC=C2)C3CC3

InChI

InChI=1S/C15H17N3O2S/c1-10(14(19)20-2)21-15-17-16-13(11-8-9-11)18(15)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3/t10-/m0/s1