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

Systemtic Name: N-[(E)-[1-(2-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-2-phenylsulfanyl-ethanamide Openeye Name: N-[(E)-[1-(2-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-phenylsulfanyl-acetamide CAS Name: N-[(E)-[1-(2-bromophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-2-(phenylthio)acetamide IUPAC Name: N-[(E)-[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-phenylsulfanylacetamide Traditional Name: N-[(E)-[1-(2-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-(phenylthio)acetamide Formula: C21H20BrN3OS MolecularWeight: 442.372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2Br)C)C=NNC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2Br)C)/C=N/NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C21H20BrN3OS/c1-15-12-17(16(2)25(15)20-11-7-6-10-19(20)22)13-23-24-21(26)14-27-18-8-4-3-5-9-18/h3-13H,14H2,1-2H3,(H,24,26)/b23-13+