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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)N2C(=NN=C2SCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C1CC1)N2C(=NN=C2SCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C15H17N3O2S/c1-10(11-7-8-11)18-14(12-5-3-2-4-6-12)16-17-15(18)21-9-13(19)20/h2-6,10-11H,7-9H2,1H3,(H,19,20)