4-[2-[[4-cyclohexyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]-3-methoxy-benzaldehyde

Systemtic Name: 4-[2-[[4-cyclohexyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]-3-methoxy-benzaldehyde Openeye Name: 4-[2-[[4-cyclohexyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]-3-methoxy-benzaldehyde CAS Name: 4-[2-[[4-cyclohexyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]ethoxy]-3-methoxybenzaldehyde IUPAC Name: 4-[2-[[4-cyclohexyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]-3-methoxybenzaldehyde Traditional Name: 4-[2-[[4-cyclohexyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]ethoxy]-3-methoxy-benzaldehyde Formula: C24H26N4O5S MolecularWeight: 482.55204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)OCCSC2=NN=C(N2C3CCCCC3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)OCCSC2=NN=C(N2C3CCCCC3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H26N4O5S/c1-32-22-14-17(16-29)10-11-21(22)33-12-13-34-24-26-25-23(27(24)19-7-3-2-4-8-19)18-6-5-9-20(15-18)28(30)31/h5-6,9-11,14-16,19H,2-4,7-8,12-13H2,1H3