4-(3-chloranyl-4-methyl-phenyl)-3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-(3-chloranyl-4-methyl-phenyl)-3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-(3-chloro-4-methyl-phenyl)-3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-(3-chloro-4-methylphenyl)-3-[(2-methyl-3-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-(3-chloro-4-methylphenyl)-3-[(2-methyl-3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-(3-chloro-4-methyl-phenyl)-3-[(2-methyl-3-nitro-benzyl)thio]-1,2,4-triazole Formula: C17H15ClN4O2S MolecularWeight: 374.8446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=NN=C2SCC3=C(C(=CC=C3)[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=NN=C2SCC3=C(C(=CC=C3)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C17H15ClN4O2S/c1-11-6-7-14(8-15(11)18)21-10-19-20-17(21)25-9-13-4-3-5-16(12(13)2)22(23)24/h3-8,10H,9H2,1-2H3