2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-N-(2-methyl-5-nitrophenyl)acetamide IUPAC Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC1=NC(=NN1)SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H15N5O3S/c1-3-11-15-13(17-16-11)22-7-12(19)14-10-6-9(18(20)21)5-4-8(10)2/h4-6H,3,7H2,1-2H3,(H,14,19)(H,15,16,17)