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

Systemtic Name: 4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(thiophen-3-ylmethyl)-1,2,4-triazole Openeye Name: 4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(3-thienylmethyl)-1,2,4-triazole CAS Name: 4-methyl-3-[(4-nitrophenyl)methylthio]-5-(3-thiophenylmethyl)-1,2,4-triazole IUPAC Name: 4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(thiophen-3-ylmethyl)-1,2,4-triazole Traditional Name: 4-methyl-3-[(4-nitrobenzyl)thio]-5-(3-thenyl)-1,2,4-triazole Formula: C15H14N4O2S2 MolecularWeight: 346.42726

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CSC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CSC=C3

InChI

InChI=1S/C15H14N4O2S2/c1-18-14(8-12-6-7-22-9-12)16-17-15(18)23-10-11-2-4-13(5-3-11)19(20)21/h2-7,9H,8,10H2,1H3