N-[2-[(4-methyl-2-nitro-phenyl)diazenyl]-1-oxidanylidene-2,3-dihydroinden-4-yl]henicosanethioamide

Systemtic Name: N-[2-[(4-methyl-2-nitro-phenyl)diazenyl]-1-oxidanylidene-2,3-dihydroinden-4-yl]henicosanethioamide Openeye Name: N-[2-(4-methyl-2-nitro-phenyl)azo-1-oxo-indan-4-yl]henicosanethioamide CAS Name: N-[2-(4-methyl-2-nitrophenyl)azo-1-oxo-2,3-dihydroinden-4-yl]heneicosanethioamide IUPAC Name: N-[2-[(4-methyl-2-nitrophenyl)diazenyl]-1-oxo-2,3-dihydroinden-4-yl]henicosanethioamide Traditional Name: N-[1-keto-2-(4-methyl-2-nitro-phenyl)azo-indan-4-yl]heneicosanethioamide Formula: C37H54N4O3S MolecularWeight: 634.91466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(=S)NC1=CC=CC2=C1CC(C2=O)N=NC3=C(C=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(=S)NC1=CC=CC2=C1CC(C2=O)N=NC3=C(C=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C37H54N4O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36(45)38-32-23-21-22-30-31(32)28-34(37(30)42)40-39-33-26-25-29(2)27-35(33)41(43)44/h21-23,25-27,34H,3-20,24,28H2,1-2H3,(H,38,45)