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

Systemtic Name: 3-[(3-nitrophenyl)methylsulfanyl]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[(3-nitrophenyl)methylsulfanyl]-4-phenyl-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(3-nitrophenyl)methylthio]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[(3-nitrophenyl)methylsulfanyl]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(3-nitrobenzyl)thio]-4-phenyl-5-(2-thienyl)-1,2,4-triazole Formula: C19H14N4O2S2 MolecularWeight: 394.47006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C19H14N4O2S2/c24-23(25)16-9-4-6-14(12-16)13-27-19-21-20-18(17-10-5-11-26-17)22(19)15-7-2-1-3-8-15/h1-12H,13H2