3-(4-chlorophenyl)-5-(2,4-dinitrophenyl)sulfanyl-4-ethyl-1,2,4-triazole

Systemtic Name: 3-(4-chlorophenyl)-5-(2,4-dinitrophenyl)sulfanyl-4-ethyl-1,2,4-triazole Openeye Name: 3-(4-chlorophenyl)-5-(2,4-dinitrophenyl)sulfanyl-4-ethyl-1,2,4-triazole CAS Name: 3-(4-chlorophenyl)-5-[(2,4-dinitrophenyl)thio]-4-ethyl-1,2,4-triazole IUPAC Name: 3-(4-chlorophenyl)-5-(2,4-dinitrophenyl)sulfanyl-4-ethyl-1,2,4-triazole Traditional Name: 3-(4-chlorophenyl)-5-[(2,4-dinitrophenyl)thio]-4-ethyl-1,2,4-triazole Formula: C16H12ClN5O4S MolecularWeight: 405.81558

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H12ClN5O4S/c1-2-20-15(10-3-5-11(17)6-4-10)18-19-16(20)27-14-8-7-12(21(23)24)9-13(14)22(25)26/h3-9H,2H2,1H3