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

Systemtic Name: 3-[(5-chloranyl-1-methyl-imidazol-2-yl)methylsulfanyl]-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-[(5-chloro-1-methyl-imidazol-2-yl)methylsulfanyl]-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole CAS Name: 3-[(5-chloro-1-methyl-2-imidazolyl)methylthio]-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[(5-chloro-1-methyl-imidazol-2-yl)methylthio]-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole Formula: C21H20ClN5S MolecularWeight: 409.935

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=NC=C(N3C)Cl)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=NC=C(N3C)Cl)C4=CC=CC=C4)C

InChI

InChI=1S/C21H20ClN5S/c1-14-9-10-17(11-15(14)2)27-20(16-7-5-4-6-8-16)24-25-21(27)28-13-19-23-12-18(22)26(19)3/h4-12H,13H2,1-3H3