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

Systemtic Name: 3-(4-chloranyl-2-nitro-phenyl)sulfanyl-4-methyl-5-(phenoxymethyl)-1,2,4-triazole Openeye Name: 3-(4-chloro-2-nitro-phenyl)sulfanyl-4-methyl-5-(phenoxymethyl)-1,2,4-triazole CAS Name: 3-[(4-chloro-2-nitrophenyl)thio]-4-methyl-5-(phenoxymethyl)-1,2,4-triazole IUPAC Name: 3-(4-chloro-2-nitrophenyl)sulfanyl-4-methyl-5-(phenoxymethyl)-1,2,4-triazole Traditional Name: 3-[(4-chloro-2-nitro-phenyl)thio]-4-methyl-5-(phenoxymethyl)-1,2,4-triazole Formula: C16H13ClN4O3S MolecularWeight: 376.81742

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)Cl)[N+](=O)[O-])COC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)Cl)[N+](=O)[O-])COC3=CC=CC=C3

InChI

InChI=1S/C16H13ClN4O3S/c1-20-15(10-24-12-5-3-2-4-6-12)18-19-16(20)25-14-8-7-11(17)9-13(14)21(22)23/h2-9H,10H2,1H3