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

Systemtic Name: N-[1-[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-3-methyl-benzamide Openeye Name: N-[1-[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-3-methyl-benzamide CAS Name: N-[1-[4-ethyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]ethyl]-3-methylbenzamide IUPAC Name: N-[1-[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-3-methylbenzamide Traditional Name: N-[1-[4-ethyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]ethyl]-3-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=C3)C

Isomeric SMILES

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

InChI

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