N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-2-[(4-phenyl-5-undecyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-2-[(4-phenyl-5-undecyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(E)-(5-nitro-2-thienyl)methyleneamino]-2-[(4-phenyl-5-undecyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(E)-(5-nitro-2-thiophenyl)methylideneamino]-2-[(4-phenyl-5-undecyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-2-[(4-phenyl-5-undecyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(E)-(5-nitro-2-thienyl)methyleneamino]-2-[(4-phenyl-5-undecyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C26H34N6O3S2 MolecularWeight: 542.71656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NN=CC3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)N/N=C/C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C26H34N6O3S2/c1-2-3-4-5-6-7-8-9-13-16-23-28-30-26(31(23)21-14-11-10-12-15-21)36-20-24(33)29-27-19-22-17-18-25(37-22)32(34)35/h10-12,14-15,17-19H,2-9,13,16,20H2,1H3,(H,29,33)/b27-19+