2-azanyl-3-methanethioyl-4-(phenylmethylsulfanyl)benzenesulfonic acid

Systemtic Name: 2-azanyl-3-methanethioyl-4-(phenylmethylsulfanyl)benzenesulfonic acid Openeye Name: 2-amino-4-benzylsulfanyl-3-methanethioyl-benzenesulfonic acid CAS Name: 2-amino-3-methanethioyl-4-(phenylmethylthio)benzenesulfonic acid IUPAC Name: 2-amino-4-benzylsulfanyl-3-methanethioylbenzenesulfonic acid Traditional Name: 2-amino-4-(benzylthio)-3-thioformyl-besylic acid Formula: C14H13NO3S3 MolecularWeight: 339.45292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=C(C=C2)S(=O)(=O)O)N)C=S

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=C(C=C2)S(=O)(=O)O)N)C=S

InChI

InChI=1S/C14H13NO3S3/c15-14-11(8-19)12(6-7-13(14)21(16,17)18)20-9-10-4-2-1-3-5-10/h1-8H,9,15H2,(H,16,17,18)