4-(phenylmethyl)-5-sulfanylidene-1,3,4-thiadiazole-2-sulfonic acid

Systemtic Name: 4-(phenylmethyl)-5-sulfanylidene-1,3,4-thiadiazole-2-sulfonic acid Openeye Name: 4-benzyl-5-thioxo-1,3,4-thiadiazole-2-sulfonic acid CAS Name: 4-(phenylmethyl)-5-sulfanylidene-1,3,4-thiadiazole-2-sulfonic acid IUPAC Name: 4-benzyl-5-sulfanylidene-1,3,4-thiadiazole-2-sulfonic acid Traditional Name: 4-benzyl-5-thioxo-1,3,4-thiadiazole-2-sulfonic acid Formula: C9H8N2O3S3 MolecularWeight: 288.36642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=S)SC(=N2)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=S)SC(=N2)S(=O)(=O)O

InChI

InChI=1S/C9H8N2O3S3/c12-17(13,14)8-10-11(9(15)16-8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,12,13,14)