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

Systemtic Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(3-chlorophenyl)methylthio]-5-[(2-methyl-5-nitro-1-imidazolyl)methyl]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[(3-chlorobenzyl)thio]-5-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-4-phenyl-1,2,4-triazole Formula: C20H17ClN6O2S MolecularWeight: 440.90598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H17ClN6O2S/c1-14-22-11-19(27(28)29)25(14)12-18-23-24-20(26(18)17-8-3-2-4-9-17)30-13-15-6-5-7-16(21)10-15/h2-11H,12-13H2,1H3