N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[[5-[(4-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[[5-[(4-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[[5-(p-toluidino)-1,3,4-thiadiazol-2-yl]thio]acetamide Formula: C20H18FN5OS2 MolecularWeight: 427.518223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)N(CCC#N)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)N(CCC#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H18FN5OS2/c1-14-3-7-16(8-4-14)23-19-24-25-20(29-19)28-13-18(27)26(12-2-11-22)17-9-5-15(21)6-10-17/h3-10H,2,12-13H2,1H3,(H,23,24)