18-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)octadecanethioic S-acid

Systemtic Name: 18-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)octadecanethioic S-acid Openeye Name: 18-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)octadecanethioic S-acid CAS Name: 18-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)octadecanethioic S-acid IUPAC Name: 18-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)octadecanethioic S-acid Traditional Name: 18-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)thiostearic acid Formula: C20H36N2OS3 MolecularWeight: 416.70764

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCCCC1=NNC(=S)S1)CCCCCCCCC(=O)S

Isomeric SMILES

C(CCCCCCCCC1=NNC(=S)S1)CCCCCCCCC(=O)S

InChI

InChI=1S/C20H36N2OS3/c23-19(24)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-21-22-20(25)26-18/h1-17H2,(H,22,25)(H,23,24)