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

Systemtic Name: 2-chloranyl-N-[1-[5-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: 2-chloro-N-[1-[5-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzamide CAS Name: 2-chloro-N-[1-[5-[[2-(cyclohexylamino)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 2-chloro-N-[1-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: 2-chloro-N-[1-[5-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzamide Formula: C21H28ClN5O2S MolecularWeight: 449.99732

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C(C)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C(C)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H28ClN5O2S/c1-3-27-19(14(2)23-20(29)16-11-7-8-12-17(16)22)25-26-21(27)30-13-18(28)24-15-9-5-4-6-10-15/h7-8,11-12,14-15H,3-6,9-10,13H2,1-2H3,(H,23,29)(H,24,28)