3-[(3-chlorophenyl)methylsulfanyl]-4-methyl-5-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-1,2,4-triazole

Systemtic Name: 3-[(3-chlorophenyl)methylsulfanyl]-4-methyl-5-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-1,2,4-triazole Openeye Name: 3-[(3-chlorophenyl)methylsulfanyl]-4-methyl-5-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-1,2,4-triazole CAS Name: 3-[(3-chlorophenyl)methylthio]-4-methyl-5-[(2-methyl-5-nitro-1-imidazolyl)methyl]-1,2,4-triazole IUPAC Name: 3-[(3-chlorophenyl)methylsulfanyl]-4-methyl-5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,2,4-triazole Traditional Name: 3-[(3-chlorobenzyl)thio]-4-methyl-5-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-1,2,4-triazole Formula: C15H15ClN6O2S MolecularWeight: 378.8366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC2=NN=C(N2C)SCC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CC2=NN=C(N2C)SCC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H15ClN6O2S/c1-10-17-7-14(22(23)24)21(10)8-13-18-19-15(20(13)2)25-9-11-4-3-5-12(16)6-11/h3-7H,8-9H2,1-2H3