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

Systemtic Name: N-[(E)-[1-(2-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-3-phenylsulfanyl-propanamide Openeye Name: N-[(E)-[1-(2-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-phenylsulfanyl-propanamide CAS Name: N-[(E)-[1-(2-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-3-(phenylthio)propanamide IUPAC Name: N-[(E)-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-3-phenylsulfanylpropanamide Traditional Name: N-[(E)-[1-(2-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-(phenylthio)propionamide Formula: C22H22ClN3OS MolecularWeight: 411.94758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2Cl)C)C=NNC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2Cl)C)/C=N/NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C22H22ClN3OS/c1-16-14-18(17(2)26(16)21-11-7-6-10-20(21)23)15-24-25-22(27)12-13-28-19-8-4-3-5-9-19/h3-11,14-15H,12-13H2,1-2H3,(H,25,27)/b24-15+