2-[[methyl-[(2-nitrophenyl)methyl]amino]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[methyl-[(2-nitrophenyl)methyl]amino]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-isopropyl-2-[[methyl-[(2-nitrophenyl)methyl]amino]methyl]-1,2,4-triazole-3-thione CAS Name: 2-[[methyl-[(2-nitrophenyl)methyl]amino]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[methyl-[(2-nitrophenyl)methyl]amino]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-isopropyl-2-[[methyl-(2-nitrobenzyl)amino]methyl]-1,2,4-triazole-3-thione Formula: C14H19N5O2S MolecularWeight: 321.39796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN(C1=S)CN(C)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C=NN(C1=S)CN(C)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C14H19N5O2S/c1-11(2)17-9-15-18(14(17)22)10-16(3)8-12-6-4-5-7-13(12)19(20)21/h4-7,9,11H,8,10H2,1-3H3