3-[(4-nitrophenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole

Systemtic Name: 3-[(4-nitrophenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole Openeye Name: 3-[(4-nitrophenyl)methylsulfanyl]-5-(2-thienyl)-1H-1,2,4-triazole CAS Name: 3-[(4-nitrophenyl)methylthio]-5-thiophen-2-yl-1H-1,2,4-triazole IUPAC Name: 3-[(4-nitrophenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole Traditional Name: 3-[(4-nitrobenzyl)thio]-5-(2-thienyl)-1H-1,2,4-triazole Formula: C13H10N4O2S2 MolecularWeight: 318.3741

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O2S2/c18-17(19)10-5-3-9(4-6-10)8-21-13-14-12(15-16-13)11-2-1-7-20-11/h1-7H,8H2,(H,14,15,16)