4-nitro-N-[(E)-(5-octadecylsulfanylthieno[3,2-b]thiophen-2-yl)methylideneamino]aniline

Systemtic Name: 4-nitro-N-[(E)-(5-octadecylsulfanylthieno[3,2-b]thiophen-2-yl)methylideneamino]aniline Openeye Name: 4-nitro-N-[(E)-(5-octadecylsulfanylthieno[3,2-b]thiophen-2-yl)methyleneamino]aniline CAS Name: 4-nitro-N-[(E)-[5-(octadecylthio)-2-thieno[3,2-b]thiophenyl]methylideneamino]aniline IUPAC Name: 4-nitro-N-[(E)-(5-octadecylsulfanylthieno[3,2-b]thiophen-2-yl)methylideneamino]aniline Traditional Name: (4-nitrophenyl)-[(E)-[5-(stearylthio)thieno[3,2-b]thiophen-2-yl]methyleneamino]amine Formula: C31H45N3O2S3 MolecularWeight: 587.9029

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=CC2=C(S1)C=C(S2)C=NNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=CC2=C(S1)C=C(S2)/C=N/NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C31H45N3O2S3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-37-31-24-30-29(39-31)23-28(38-30)25-32-33-26-18-20-27(21-19-26)34(35)36/h18-21,23-25,33H,2-17,22H2,1H3/b32-25+