(E)-2-(1H-benzimidazol-2-yl)-3-[4-(methylamino)-3-nitro-phenyl]-1-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(methylamino)-3-nitro-phenyl]-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(methylamino)-3-nitro-phenyl]-1-(2-thienyl)prop-2-en-1-one CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(methylamino)-3-nitrophenyl]-1-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(methylamino)-3-nitrophenyl]-1-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(methylamino)-3-nitro-phenyl]-1-(2-thienyl)prop-2-en-1-one Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C=C(C2=NC3=CC=CC=C3N2)C(=O)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)/C=C(\C2=NC3=CC=CC=C3N2)/C(=O)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O3S/c1-22-17-9-8-13(12-18(17)25(27)28)11-14(20(26)19-7-4-10-29-19)21-23-15-5-2-3-6-16(15)24-21/h2-12,22H,1H3,(H,23,24)/b14-11-