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

Systemtic Name: 3-[(4-nitrophenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole Openeye Name: 3-[(4-nitrophenyl)methylsulfanyl]-5-(2-thienylmethyl)-1H-1,2,4-triazole CAS Name: 3-[(4-nitrophenyl)methylthio]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole IUPAC Name: 3-[(4-nitrophenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole Traditional Name: 3-[(4-nitrobenzyl)thio]-5-(2-thenyl)-1H-1,2,4-triazole Formula: C14H12N4O2S2 MolecularWeight: 332.40068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC2=NC(=NN2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)CC2=NC(=NN2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O2S2/c19-18(20)11-5-3-10(4-6-11)9-22-14-15-13(16-17-14)8-12-2-1-7-21-12/h1-7H,8-9H2,(H,15,16,17)