3-(2-chloranyl-4-nitro-phenyl)sulfanyl-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole

Systemtic Name: 3-(2-chloranyl-4-nitro-phenyl)sulfanyl-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-(2-chloro-4-nitro-phenyl)sulfanyl-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(2-chloro-4-nitrophenyl)thio]-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-(2-chloro-4-nitrophenyl)sulfanyl-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(2-chloro-4-nitro-phenyl)thio]-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C17H15ClN4O3S MolecularWeight: 390.844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN4O3S/c1-3-21-16(11-4-7-13(25-2)8-5-11)19-20-17(21)26-15-9-6-12(22(23)24)10-14(15)18/h4-10H,3H2,1-2H3