2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]acrylonitrile Formula: C22H16FN3S2 MolecularWeight: 405.510943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C=C(C#N)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C=C(C#N)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H16FN3S2/c1-14-11-16(15(2)26(14)18-9-7-17(23)8-10-18)12-19(13-24)27-22-25-20-5-3-4-6-21(20)28-22/h3-12H,1-2H3