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

Systemtic Name: 2-[[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]methyl]-4-(2-methoxyphenyl)-1,2,4-triazole-3-thione Openeye Name: 2-[[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]methyl]-4-(2-methoxyphenyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]-4-(2-methoxyphenyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]-4-(2-methoxyphenyl)-1,2,4-triazole-3-thione Traditional Name: 2-[[(2-chloro-5-nitro-benzyl)-methyl-amino]methyl]-4-(2-methoxyphenyl)-1,2,4-triazole-3-thione Formula: C18H18ClN5O3S MolecularWeight: 419.88522

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CN2C(=S)N(C=N2)C3=CC=CC=C3OC

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CN2C(=S)N(C=N2)C3=CC=CC=C3OC

InChI

InChI=1S/C18H18ClN5O3S/c1-21(10-13-9-14(24(25)26)7-8-15(13)19)12-23-18(28)22(11-20-23)16-5-3-4-6-17(16)27-2/h3-9,11H,10,12H2,1-2H3