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

Systemtic Name: 1-[[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]methyl]-4-phenyl-1,2,3,4-tetrazole-5-thione Openeye Name: 1-[[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]methyl]-4-phenyl-tetrazole-5-thione CAS Name: 1-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]-4-phenyl-5-tetrazolethione IUPAC Name: 1-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]-4-phenyltetrazole-5-thione Traditional Name: 1-[[(2-chloro-5-nitro-benzyl)-methyl-amino]methyl]-4-phenyl-tetrazole-5-thione Formula: C16H15ClN6O2S MolecularWeight: 390.8473

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN6O2S/c1-20(10-12-9-14(23(24)25)7-8-15(12)17)11-21-16(26)22(19-18-21)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3