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

Systemtic Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]-N-(3-nitrophenyl)acetamide Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])CCC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])CCC3=CC=CC=C3

InChI

InChI=1S/C19H19N5O3S/c1-23-17(11-10-14-6-3-2-4-7-14)21-22-19(23)28-13-18(25)20-15-8-5-9-16(12-15)24(26)27/h2-9,12H,10-11,13H2,1H3,(H,20,25)