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

Systemtic Name: 3-[[(2-methyl-5-nitro-phenyl)amino]methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(2-methyl-5-nitro-anilino)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[(2-methyl-5-nitroanilino)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(2-methyl-5-nitroanilino)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(2-methyl-5-nitro-anilino)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C16H15N5O2S MolecularWeight: 341.3876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)