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

Systemtic Name: 3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: 3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]propanoate IUPAC Name: 3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]propionate Formula: C14H14N3O2S- MolecularWeight: 288.34486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)[O-]

InChI

InChI=1S/C14H15N3O2S/c18-12(19)8-9-20-14-16-15-13(10-6-7-10)17(14)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,18,19)/p-1