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

Systemtic Name: N-[[5-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide Openeye Name: N-[[5-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide CAS Name: N-[[5-[[2-(cyclohexylamino)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide IUPAC Name: N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide Traditional Name: N-[[5-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide Formula: C20H26N6O4S MolecularWeight: 446.52324

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2CCCCC2)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2CCCCC2)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N6O4S/c1-2-25-17(12-21-19(28)14-7-6-10-16(11-14)26(29)30)23-24-20(25)31-13-18(27)22-15-8-4-3-5-9-15/h6-7,10-11,15H,2-5,8-9,12-13H2,1H3,(H,21,28)(H,22,27)