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

Systemtic Name: 2-[[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(2-chloro-5-nitro-benzyl)-methyl-amino]methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C17H16ClN5O2S MolecularWeight: 389.85924

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CN2C(=S)N(C=N2)C3=CC=CC=C3

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CN2C(=S)N(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H16ClN5O2S/c1-20(10-13-9-15(23(24)25)7-8-16(13)18)12-22-17(26)21(11-19-22)14-5-3-2-4-6-14/h2-9,11H,10,12H2,1H3