5-azanyl-1-[naphthalen-2-ylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-azanyl-1-[naphthalen-2-ylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-amino-1-[2-naphthylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]triazole-4-carboxylic acid CAS Name: 5-amino-1-[(4-mercapto-2-pyrrolidinyl)-(2-naphthalenylsulfonyl)methyl]-4-triazolecarboxylic acid IUPAC Name: 5-amino-1-[naphthalen-2-ylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]triazole-4-carboxylic acid Traditional Name: 5-amino-1-[(4-mercaptopyrrolidin-2-yl)-(2-naphthylsulfonyl)methyl]triazole-4-carboxylic acid Formula: C18H19N5O4S2 MolecularWeight: 433.50456

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(N2C(=C(N=N2)C(=O)O)N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

C1C(CNC1C(N2C(=C(N=N2)C(=O)O)N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C18H19N5O4S2/c19-16-15(18(24)25)21-22-23(16)17(14-8-12(28)9-20-14)29(26,27)13-6-5-10-3-1-2-4-11(10)7-13/h1-7,12,14,17,20,28H,8-9,19H2,(H,24,25)