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

Systemtic Name: 2-[[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(2-chloro-5-nitro-benzyl)-methyl-amino]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione Formula: C18H18ClN5O2S MolecularWeight: 403.88582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2=CC=CC=C2)CN(C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=NN(C(=S)N1C2=CC=CC=C2)CN(C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClN5O2S/c1-13-20-22(18(27)23(13)15-6-4-3-5-7-15)12-21(2)11-14-10-16(24(25)26)8-9-17(14)19/h3-10H,11-12H2,1-2H3