3-(2-chloranyl-4-nitro-phenyl)sulfanyl-5-(furan-2-yl)-4-methyl-1,2,4-triazole

Systemtic Name: 3-(2-chloranyl-4-nitro-phenyl)sulfanyl-5-(furan-2-yl)-4-methyl-1,2,4-triazole Openeye Name: 3-(2-chloro-4-nitro-phenyl)sulfanyl-5-(2-furyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(2-chloro-4-nitrophenyl)thio]-5-(2-furanyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-(2-chloro-4-nitrophenyl)sulfanyl-5-(furan-2-yl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(2-chloro-4-nitro-phenyl)thio]-5-(2-furyl)-4-methyl-1,2,4-triazole Formula: C13H9ClN4O3S MolecularWeight: 336.75356

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CO3

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CO3

InChI

InChI=1S/C13H9ClN4O3S/c1-17-12(10-3-2-6-21-10)15-16-13(17)22-11-5-4-8(18(19)20)7-9(11)14/h2-7H,1H3