3-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[4-amino-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]propionic acid Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(N3N)SCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(N3N)SCCC(=O)O

InChI

InChI=1S/C16H16N4O2S/c17-20-14(18-19-16(20)23-9-8-15(21)22)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10,17H2,(H,21,22)