2-[[4-azanyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]butanoic acid

Systemtic Name: 2-[[4-azanyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]butanoic acid Openeye Name: 2-[[4-amino-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]butanoic acid CAS Name: 2-[[4-amino-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]butanoic acid IUPAC Name: 2-[[4-amino-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]butanoic acid Traditional Name: 2-[[4-amino-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]butyric acid Formula: C12H13N5O4S MolecularWeight: 323.32772

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NN=C(N1N)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)O)SC1=NN=C(N1N)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O4S/c1-2-9(11(18)19)22-12-15-14-10(16(12)13)7-3-5-8(6-4-7)17(20)21/h3-6,9H,2,13H2,1H3,(H,18,19)