N-[(E)-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-2-phenylsulfanyl-propanamide

Systemtic Name: N-[(E)-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-2-phenylsulfanyl-propanamide Openeye Name: N-[(E)-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-phenylsulfanyl-propanamide CAS Name: N-[(E)-[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-2-(phenylthio)propanamide IUPAC Name: N-[(E)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-phenylsulfanylpropanamide Traditional Name: N-[(E)-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-(phenylthio)propionamide Formula: C22H22FN3OS MolecularWeight: 395.492983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C=NNC(=O)C(C)SC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)/C=N/NC(=O)C(C)SC3=CC=CC=C3

InChI

InChI=1S/C22H22FN3OS/c1-15-13-18(16(2)26(15)20-11-9-19(23)10-12-20)14-24-25-22(27)17(3)28-21-7-5-4-6-8-21/h4-14,17H,1-3H3,(H,25,27)/b24-14+