4-[(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)methyl]benzenesulfonamide

Systemtic Name: 4-[(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)methyl]benzenesulfonamide Openeye Name: 4-[(3-isopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)methyl]benzenesulfonamide CAS Name: 4-[(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)methyl]benzenesulfonamide IUPAC Name: 4-[(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)methyl]benzenesulfonamide Traditional Name: 4-[(3-isopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)methyl]benzenesulfonamide Formula: C12H16N4O2S2 MolecularWeight: 312.41104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NNC(=S)N1CC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC(C)C1=NNC(=S)N1CC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C12H16N4O2S2/c1-8(2)11-14-15-12(19)16(11)7-9-3-5-10(6-4-9)20(13,17)18/h3-6,8H,7H2,1-2H3,(H,15,19)(H2,13,17,18)