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

Systemtic Name: 2-methyl-N-[1-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: 2-methyl-N-[1-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]benzamide CAS Name: 2-methyl-N-[1-[4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 2-methyl-N-[1-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: 2-methyl-N-[1-[4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]ethyl]benzamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C)C2=NN=C(N2C)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(C)C2=NN=C(N2C)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3S/c1-13-6-4-5-7-17(13)19(26)21-14(2)18-22-23-20(24(18)3)29-12-15-8-10-16(11-9-15)25(27)28/h4-11,14H,12H2,1-3H3,(H,21,26)