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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NN=C(N1C)SCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C1=NN=C(N1C)SCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N5O3S/c1-14(2)18(22-20(27)16-7-5-4-6-8-16)19-23-24-21(25(19)3)30-13-15-9-11-17(12-10-15)26(28)29/h4-12,14,18H,13H2,1-3H3,(H,22,27)