2-[(5-azanylidene-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanyl]-1-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-[(5-azanylidene-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanyl]-1-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 1-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanyl]ethanone CAS Name: 1-[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)thio]ethanone IUPAC Name: 1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanyl]ethanone Traditional Name: 1-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)thio]ethanone Formula: C16H14FN4OS2- MolecularWeight: 361.436963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)CSC3=N[N-]C(=N)S3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)CSC3=N[N-]C(=N)S3

InChI

InChI=1S/C16H14FN4OS2/c1-9-7-11(14(22)8-23-16-20-19-15(18)24-16)10(2)21(9)13-6-4-3-5-12(13)17/h3-7H,8H2,1-2H3,(H-,18,19)/q-1