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

Systemtic Name: 2-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]-N-(p-tolyl)acetamide Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O3S/c1-13-3-7-15(8-4-13)20-18(25)11-17-21-22-19(23(17)2)28-12-14-5-9-16(10-6-14)24(26)27/h3-10H,11-12H2,1-2H3,(H,20,25)