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

Systemtic Name: 5-[[(2-methyl-5-nitro-phenyl)amino]methyl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(2-methyl-5-nitro-anilino)methyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[(2-methyl-5-nitroanilino)methyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(2-methyl-5-nitroanilino)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[(2-methyl-5-nitro-anilino)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C16H14N5O2S- MolecularWeight: 340.37966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=NN=C(N2C3=CC=CC=C3)[S-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=NN=C(N2C3=CC=CC=C3)[S-]

InChI

InChI=1S/C16H15N5O2S/c1-11-7-8-13(21(22)23)9-14(11)17-10-15-18-19-16(24)20(15)12-5-3-2-4-6-12/h2-9,17H,10H2,1H3,(H,19,24)/p-1