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

Systemtic Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-(2-thiophen-2-ylethyl)-1,2,4-triazole Openeye Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-[2-(2-thienyl)ethyl]-1,2,4-triazole CAS Name: 3-[(2-methoxy-5-nitrophenyl)methylthio]-4-(2-thiophen-2-ylethyl)-1,2,4-triazole IUPAC Name: 3-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-4-(2-thiophen-2-ylethyl)-1,2,4-triazole Traditional Name: 3-[(2-methoxy-5-nitro-benzyl)thio]-4-[2-(2-thienyl)ethyl]-1,2,4-triazole Formula: C16H16N4O3S2 MolecularWeight: 376.45324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=CN2CCC3=CC=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=CN2CCC3=CC=CS3

InChI

InChI=1S/C16H16N4O3S2/c1-23-15-5-4-13(20(21)22)9-12(15)10-25-16-18-17-11-19(16)7-6-14-3-2-8-24-14/h2-5,8-9,11H,6-7,10H2,1H3