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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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