3-[(3-heptadecyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)carbamoylamino]benzenesulfonyl fluoride

Systemtic Name: 3-[(3-heptadecyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)carbamoylamino]benzenesulfonyl fluoride Openeye Name: 3-[(3-heptadecyl-5-thioxo-1H-1,2,4-triazol-4-yl)carbamoylamino]benzenesulfonyl fluoride CAS Name: 3-[[[(3-heptadecyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]-oxomethyl]amino]benzenesulfonyl fluoride IUPAC Name: 3-[(3-heptadecyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)carbamoylamino]benzenesulfonyl fluoride Traditional Name: 3-[(3-heptadecyl-5-thioxo-1H-1,2,4-triazol-4-yl)carbamoylamino]benzenesulfonyl fluoride Formula: C26H42FN5O3S2 MolecularWeight: 555.771783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NNC(=S)N1NC(=O)NC2=CC(=CC=C2)S(=O)(=O)F

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NNC(=S)N1NC(=O)NC2=CC(=CC=C2)S(=O)(=O)F

InChI

InChI=1S/C26H42FN5O3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-29-30-26(36)32(24)31-25(33)28-22-18-17-19-23(21-22)37(27,34)35/h17-19,21H,2-16,20H2,1H3,(H,30,36)(H2,28,31,33)