N-[(2-chloranyl-5-nitro-phenyl)methyl]-N-methyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)methyl]-N-methyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-[(2-chloro-5-nitro-phenyl)methyl]-N-methyl-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-(2-chloro-5-nitro-benzyl)-N-methyl-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C16H14ClN5O3S2 MolecularWeight: 423.89706

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)CN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)CN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C16H14ClN5O3S2/c1-20(8-10-7-11(22(24)25)4-5-12(10)17)14(23)9-21-15(18-19-16(21)26)13-3-2-6-27-13/h2-7H,8-9H2,1H3,(H,19,26)