2-[[5-[(4-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[5-[(4-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-phenyl-2-[[5-(p-toluidino)-1,3,4-thiadiazol-2-yl]thio]-1-pyrrolidino-ethanone Formula: C21H22N4OS2 MolecularWeight: 410.55558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NN=C(S2)SC(C3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NN=C(S2)SC(C3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C21H22N4OS2/c1-15-9-11-17(12-10-15)22-20-23-24-21(28-20)27-18(16-7-3-2-4-8-16)19(26)25-13-5-6-14-25/h2-4,7-12,18H,5-6,13-14H2,1H3,(H,22,23)