4,5-dimethyl-2-[[methyl-[(2-nitrophenyl)methyl]amino]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4,5-dimethyl-2-[[methyl-[(2-nitrophenyl)methyl]amino]methyl]-1,2,4-triazole-3-thione Openeye Name: 4,5-dimethyl-2-[[methyl-[(2-nitrophenyl)methyl]amino]methyl]-1,2,4-triazole-3-thione CAS Name: 4,5-dimethyl-2-[[methyl-[(2-nitrophenyl)methyl]amino]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4,5-dimethyl-2-[[methyl-[(2-nitrophenyl)methyl]amino]methyl]-1,2,4-triazole-3-thione Traditional Name: 4,5-dimethyl-2-[[methyl-(2-nitrobenzyl)amino]methyl]-1,2,4-triazole-3-thione Formula: C13H17N5O2S MolecularWeight: 307.37138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C)CN(C)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=S)N1C)CN(C)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H17N5O2S/c1-10-14-17(13(21)16(10)3)9-15(2)8-11-6-4-5-7-12(11)18(19)20/h4-7H,8-9H2,1-3H3