N-[[5-[2-(dicyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide

Systemtic Name: N-[[5-[2-(dicyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide Openeye Name: N-[[5-[2-(dicyclohexylamino)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide CAS Name: N-[[5-[[2-(dicyclohexylamino)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide IUPAC Name: N-[[5-[2-(dicyclohexylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide Traditional Name: N-[[5-[[2-(dicyclohexylamino)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide Formula: C26H36N6O4S MolecularWeight: 528.66684

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N(C2CCCCC2)C3CCCCC3)CNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N(C2CCCCC2)C3CCCCC3)CNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H36N6O4S/c1-2-30-23(17-27-25(34)19-10-9-15-22(16-19)32(35)36)28-29-26(30)37-18-24(33)31(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h9-10,15-16,20-21H,2-8,11-14,17-18H2,1H3,(H,27,34)