3-[(3S)-3-methyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-yl]propanoate

Systemtic Name: 3-[(3S)-3-methyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-yl]propanoate Openeye Name: 3-[(3S)-3-methyl-1-phenyl-5-thioxo-1,2,4-triazolidin-3-yl]propanoate CAS Name: 3-[(3S)-3-methyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-yl]propanoate IUPAC Name: 3-[(3S)-3-methyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-yl]propanoate Traditional Name: 3-[(3S)-3-methyl-1-phenyl-5-thioxo-1,2,4-triazolidin-3-yl]propionate Formula: C12H14N3O2S- MolecularWeight: 264.32346

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Descriptors Computed from Structure

Canonical SMILES:

CC1(NC(=S)N(N1)C2=CC=CC=C2)CCC(=O)[O-]

Isomeric SMILES

C[C@@]1(NC(=S)N(N1)C2=CC=CC=C2)CCC(=O)[O-]

InChI

InChI=1S/C12H15N3O2S/c1-12(8-7-10(16)17)13-11(18)15(14-12)9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3,(H,13,18)(H,16,17)/p-1/t12-/m0/s1