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

Systemtic Name: N-[[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: N-[[4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: N-[[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]methyl]benzamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CNC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H17N5O3S/c1-22-16(11-19-17(24)14-5-3-2-4-6-14)20-21-18(22)27-12-13-7-9-15(10-8-13)23(25)26/h2-10H,11-12H2,1H3,(H,19,24)