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

Systemtic Name: N-[1-[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-2-methyl-benzamide Openeye Name: N-[1-[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-2-methyl-benzamide CAS Name: N-[1-[4-ethyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]ethyl]-2-methylbenzamide IUPAC Name: N-[1-[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-2-methylbenzamide Traditional Name: N-[1-[4-ethyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]ethyl]-2-methyl-benzamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C(C)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C(C)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C21H23N5O3S/c1-4-25-19(15(3)22-20(27)18-8-6-5-7-14(18)2)23-24-21(25)30-13-16-9-11-17(12-10-16)26(28)29/h5-12,15H,4,13H2,1-3H3,(H,22,27)