3-(2,4-dinitrophenyl)sulfanyl-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole

Systemtic Name: 3-(2,4-dinitrophenyl)sulfanyl-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole Openeye Name: 3-(2,4-dinitrophenyl)sulfanyl-5-(2-thienylmethyl)-1H-1,2,4-triazole CAS Name: 3-[(2,4-dinitrophenyl)thio]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole IUPAC Name: 3-(2,4-dinitrophenyl)sulfanyl-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole Traditional Name: 3-[(2,4-dinitrophenyl)thio]-5-(2-thenyl)-1H-1,2,4-triazole Formula: C13H9N5O4S2 MolecularWeight: 363.37166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC2=NC(=NN2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)CC2=NC(=NN2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H9N5O4S2/c19-17(20)8-3-4-11(10(6-8)18(21)22)24-13-14-12(15-16-13)7-9-2-1-5-23-9/h1-6H,7H2,(H,14,15,16)