2-[(5-cyclopropyl-4-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(5-cyclopropyl-4-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-cyclopropyl-4-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(5-cyclopropyl-4-phenethyl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(5-cyclopropyl-4-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-cyclopropyl-4-phenethyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)O

Isomeric SMILES

C1CC1C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)O

InChI

InChI=1S/C15H17N3O2S/c19-13(20)10-21-15-17-16-14(12-6-7-12)18(15)9-8-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,19,20)