(2R)-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoate

Systemtic Name: (2R)-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: (2R)-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: (2R)-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]butanoate IUPAC Name: (2R)-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoate Traditional Name: (2R)-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]butyrate Formula: C15H18N3O3S- MolecularWeight: 320.38672

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC1=NN=C(N1CCOC)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C(=O)[O-])SC1=NN=C(N1CCOC)C2=CC=CC=C2

InChI

InChI=1S/C15H19N3O3S/c1-3-12(14(19)20)22-15-17-16-13(18(15)9-10-21-2)11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3,(H,19,20)/p-1/t12-/m1/s1