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

Systemtic Name: 2-[[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]methyl]-4-methyl-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]methyl]-4-methyl-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]-4-methyl-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]-4-methyl-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[(2-chloro-5-nitro-benzyl)-methyl-amino]methyl]-4-methyl-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C16H16ClN5O2S2 MolecularWeight: 409.91354

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=CS3

Isomeric SMILES

CN1C(=NN(C1=S)CN(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=CS3

InChI

InChI=1S/C16H16ClN5O2S2/c1-19(9-11-8-12(22(23)24)5-6-13(11)17)10-21-16(25)20(2)15(18-21)14-4-3-7-26-14/h3-8H,9-10H2,1-2H3