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

Systemtic Name: 3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: 3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]propanoate IUPAC Name: 3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]propionate Formula: C12H12N3O2S- MolecularWeight: 262.30758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)[O-]

InChI

InChI=1S/C12H13N3O2S/c1-9-13-14-12(18-8-7-11(16)17)15(9)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,16,17)/p-1