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

Systemtic Name: 4-(3-chlorophenyl)-3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-(3-chlorophenyl)-3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-(3-chlorophenyl)-3-[(2-methoxy-5-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-(3-chlorophenyl)-3-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-(3-chlorophenyl)-3-[(2-methoxy-5-nitro-benzyl)thio]-1,2,4-triazole Formula: C16H13ClN4O3S MolecularWeight: 376.81742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=CN2C3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=CN2C3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H13ClN4O3S/c1-24-15-6-5-14(21(22)23)7-11(15)9-25-16-19-18-10-20(16)13-4-2-3-12(17)8-13/h2-8,10H,9H2,1H3