N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]piazthiole-4-sulfonamide Formula: C12H12N6O2S3 MolecularWeight: 368.45768

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NNC1=S)CNS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

C=CCN1C(=NNC1=S)CNS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C12H12N6O2S3/c1-2-6-18-10(14-15-12(18)21)7-13-23(19,20)9-5-3-4-8-11(9)17-22-16-8/h2-5,13H,1,6-7H2,(H,15,21)