2-chloranyl-N-[[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 2-chloranyl-N-[[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 2-chloro-N-[[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 2-chloro-N-[[4-ethyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 2-chloro-N-[[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 2-chloro-N-[[4-ethyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]methyl]benzamide Formula: C19H18ClN5O3S MolecularWeight: 431.89592

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CNC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CNC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C19H18ClN5O3S/c1-2-24-17(11-21-18(26)15-5-3-4-6-16(15)20)22-23-19(24)29-12-13-7-9-14(10-8-13)25(27)28/h3-10H,2,11-12H2,1H3,(H,21,26)