4-(3-chloranyl-4-methyl-phenyl)-3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-(3-chloranyl-4-methyl-phenyl)-3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-(3-chloro-4-methyl-phenyl)-3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-(3-chloro-4-methylphenyl)-3-[(2-methoxy-5-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-(3-chloro-4-methylphenyl)-3-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-(3-chloro-4-methyl-phenyl)-3-[(2-methoxy-5-nitro-benzyl)thio]-1,2,4-triazole Formula: C17H15ClN4O3S MolecularWeight: 390.844

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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-])OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN4O3S/c1-11-3-4-13(8-15(11)18)21-10-19-20-17(21)26-9-12-7-14(22(23)24)5-6-16(12)25-2/h3-8,10H,9H2,1-2H3