N-[(E)-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylideneamino]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[(E)-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylideneamino]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[(E)-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methyleneamino]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[(E)-(2,5-dimethyl-1-phenyl-3-pyrrolyl)methylideneamino]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[(E)-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methyleneamino]-2-[(4-nitrophenyl)thio]acetamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C=NNC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)/C=N/NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O3S/c1-15-12-17(16(2)24(15)18-6-4-3-5-7-18)13-22-23-21(26)14-29-20-10-8-19(9-11-20)25(27)28/h3-13H,14H2,1-2H3,(H,23,26)/b22-13+