4-[(E)-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylhydrazinylidene)methyl]benzoic acid

Systemtic Name: 4-[(E)-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylhydrazinylidene)methyl]benzoic acid Openeye Name: 4-[(E)-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]hydrazono]methyl]benzoic acid CAS Name: 4-[(E)-[[1-oxo-2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]ethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]hydrazinylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[[2-(pyrrolidine-1-carbothioylthio)acetyl]hydrazono]methyl]benzoic acid Formula: C15H17N3O3S2 MolecularWeight: 351.44378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)SCC(=O)NN=CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CCN(C1)C(=S)SCC(=O)N/N=C/C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H17N3O3S2/c19-13(10-23-15(22)18-7-1-2-8-18)17-16-9-11-3-5-12(6-4-11)14(20)21/h3-6,9H,1-2,7-8,10H2,(H,17,19)(H,20,21)/b16-9+