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

Systemtic Name: 3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-4-(2-thiophen-2-ylethyl)-1,2,4-triazole Openeye Name: 3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-4-[2-(2-thienyl)ethyl]-1,2,4-triazole CAS Name: 3-[(2-methyl-3-nitrophenyl)methylthio]-4-(2-thiophen-2-ylethyl)-1,2,4-triazole IUPAC Name: 3-[(2-methyl-3-nitrophenyl)methylsulfanyl]-4-(2-thiophen-2-ylethyl)-1,2,4-triazole Traditional Name: 3-[(2-methyl-3-nitro-benzyl)thio]-4-[2-(2-thienyl)ethyl]-1,2,4-triazole Formula: C16H16N4O2S2 MolecularWeight: 360.45384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=CN2CCC3=CC=CS3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=CN2CCC3=CC=CS3

InChI

InChI=1S/C16H16N4O2S2/c1-12-13(4-2-6-15(12)20(21)22)10-24-16-18-17-11-19(16)8-7-14-5-3-9-23-14/h2-6,9,11H,7-8,10H2,1H3