1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]thio]-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C25H25FN4OS2 MolecularWeight: 480.620603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=C(C=C2)F)C)C(=O)CSC3=NN=C(S3)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=C(C=C2)F)C)C(=O)CSC3=NN=C(S3)NCC4=CC=CC=C4

InChI

InChI=1S/C25H25FN4OS2/c1-17-14-22(18(2)30(17)13-12-19-8-10-21(26)11-9-19)23(31)16-32-25-29-28-24(33-25)27-15-20-6-4-3-5-7-20/h3-11,14H,12-13,15-16H2,1-2H3,(H,27,28)