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

Systemtic Name: 3-methyl-N-[2-methyl-1-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propyl]benzamide Openeye Name: 3-methyl-N-[2-methyl-1-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propyl]benzamide CAS Name: 3-methyl-N-[2-methyl-1-[4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]propyl]benzamide IUPAC Name: 3-methyl-N-[2-methyl-1-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propyl]benzamide Traditional Name: 3-methyl-N-[2-methyl-1-[4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]propyl]benzamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C2=NN=C(N2C)SCC3=CC=C(C=C3)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(C2=NN=C(N2C)SCC3=CC=C(C=C3)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C22H25N5O3S/c1-14(2)19(23-21(28)17-7-5-6-15(3)12-17)20-24-25-22(26(20)4)31-13-16-8-10-18(11-9-16)27(29)30/h5-12,14,19H,13H2,1-4H3,(H,23,28)