4-[4-(1,2,4-triazol-4-yl)phenyl]sulfanylbenzenesulfonic acid

Systemtic Name: 4-[4-(1,2,4-triazol-4-yl)phenyl]sulfanylbenzenesulfonic acid Openeye Name: 4-[4-(1,2,4-triazol-4-yl)phenyl]sulfanylbenzenesulfonic acid CAS Name: 4-[[4-(1,2,4-triazol-4-yl)phenyl]thio]benzenesulfonic acid IUPAC Name: 4-[4-(1,2,4-triazol-4-yl)phenyl]sulfanylbenzenesulfonic acid Traditional Name: 4-[[4-(1,2,4-triazol-4-yl)phenyl]thio]besylic acid Formula: C14H11N3O3S2 MolecularWeight: 333.38544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=NN=C2)SC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N2C=NN=C2)SC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C14H11N3O3S2/c18-22(19,20)14-7-5-13(6-8-14)21-12-3-1-11(2-4-12)17-9-15-16-10-17/h1-10H,(H,18,19,20)