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

Systemtic Name: N-[[5-[2-(dicyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[5-[2-(dicyclohexylamino)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[5-[[2-(dicyclohexylamino)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[5-[2-(dicyclohexylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[5-[[2-(dicyclohexylamino)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C27H39N5O3S MolecularWeight: 513.69526

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N(C2CCCCC2)C3CCCCC3)CNC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N(C2CCCCC2)C3CCCCC3)CNC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H39N5O3S/c1-3-31-24(18-28-26(34)20-14-16-23(35-2)17-15-20)29-30-27(31)36-19-25(33)32(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h14-17,21-22H,3-13,18-19H2,1-2H3,(H,28,34)