3-[(4-nitrophenyl)methylsulfanyl]-4-(2-thiophen-2-ylethyl)-1,2,4-triazole

Systemtic Name: 3-[(4-nitrophenyl)methylsulfanyl]-4-(2-thiophen-2-ylethyl)-1,2,4-triazole Openeye Name: 3-[(4-nitrophenyl)methylsulfanyl]-4-[2-(2-thienyl)ethyl]-1,2,4-triazole CAS Name: 3-[(4-nitrophenyl)methylthio]-4-(2-thiophen-2-ylethyl)-1,2,4-triazole IUPAC Name: 3-[(4-nitrophenyl)methylsulfanyl]-4-(2-thiophen-2-ylethyl)-1,2,4-triazole Traditional Name: 3-[(4-nitrobenzyl)thio]-4-[2-(2-thienyl)ethyl]-1,2,4-triazole Formula: C15H14N4O2S2 MolecularWeight: 346.42726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCN2C=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)CCN2C=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O2S2/c20-19(21)13-5-3-12(4-6-13)10-23-15-17-16-11-18(15)8-7-14-2-1-9-22-14/h1-6,9,11H,7-8,10H2