[[3-ethoxycarbonyl-5-(2-nitrophenyl)sulfanyl-4-phenyl-thiophen-2-yl]amino]methylidene-dimethyl-azanium

Systemtic Name: [[3-ethoxycarbonyl-5-(2-nitrophenyl)sulfanyl-4-phenyl-thiophen-2-yl]amino]methylidene-dimethyl-azanium Openeye Name: [[3-ethoxycarbonyl-5-(2-nitrophenyl)sulfanyl-4-phenyl-2-thienyl]amino]methylene-dimethyl-ammonium CAS Name: [[3-ethoxycarbonyl-5-[(2-nitrophenyl)thio]-4-phenyl-2-thiophenyl]amino]methylidene-dimethylammonium IUPAC Name: [[3-ethoxycarbonyl-5-(2-nitrophenyl)sulfanyl-4-phenylthiophen-2-yl]amino]methylidene-dimethylazanium Traditional Name: [[3-carbethoxy-5-[(2-nitrophenyl)thio]-4-phenyl-2-thienyl]amino]methylene-dimethyl-ammonium Formula: C22H22N3O4S2+ MolecularWeight: 456.55778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)SC3=CC=CC=C3[N+](=O)[O-])NC=[N+](C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)SC3=CC=CC=C3[N+](=O)[O-])NC=[N+](C)C

InChI

InChI=1S/C22H21N3O4S2/c1-4-29-21(26)19-18(15-10-6-5-7-11-15)22(31-20(19)23-14-24(2)3)30-17-13-9-8-12-16(17)25(27)28/h5-14H,4H2,1-3H3/p+1