4-[2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]-2-oxo-ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-2-oxoethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-2-oxoethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-[(2-chloro-5-nitro-benzyl)-methyl-amino]-2-keto-ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C16H13ClN5O3S2- MolecularWeight: 422.88912

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)CN2C(=NN=C2[S-])C3=CC=CS3

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)CN2C(=NN=C2[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)/p-1