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

Systemtic Name: 2-[[4-(cyclohexylmethyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(cyclohexylmethyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(cyclohexylmethyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(cyclohexylmethyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(cyclohexylmethyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C14H21N3O2S MolecularWeight: 295.40044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C(=NN=C2SCC(=O)O)C3CC3

Isomeric SMILES

C1CCC(CC1)CN2C(=NN=C2SCC(=O)O)C3CC3

InChI

InChI=1S/C14H21N3O2S/c18-12(19)9-20-14-16-15-13(11-6-7-11)17(14)8-10-4-2-1-3-5-10/h10-11H,1-9H2,(H,18,19)