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

Systemtic Name: 4-[3-(1-adamantyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide Openeye Name: 4-[3-(1-adamantyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzenesulfonamide CAS Name: 4-[3-(1-adamantyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide IUPAC Name: 4-[3-(1-adamantyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide Traditional Name: 4-[3-(1-adamantyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzenesulfonamide Formula: C18H22N4O2S2 MolecularWeight: 390.52288

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NNC(=S)N4C5=CC=C(C=C5)S(=O)(=O)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NNC(=S)N4C5=CC=C(C=C5)S(=O)(=O)N

InChI

InChI=1S/C18H22N4O2S2/c19-26(23,24)15-3-1-14(2-4-15)22-16(20-21-17(22)25)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H,21,25)(H2,19,23,24)