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

Systemtic Name: 3-(4-chloranyl-2-nitro-phenyl)sulfanyl-4-methyl-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-5-(4-chloro-2-nitro-phenyl)sulfanyl-4-methyl-1,2,4-triazole CAS Name: 3-[(4-chloro-2-nitrophenyl)thio]-4-methyl-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-5-(4-chloro-2-nitrophenyl)sulfanyl-4-methyl-1,2,4-triazole Traditional Name: 3-benzyl-5-[(4-chloro-2-nitro-phenyl)thio]-4-methyl-1,2,4-triazole Formula: C16H13ClN4O2S MolecularWeight: 360.81802

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)Cl)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)Cl)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C16H13ClN4O2S/c1-20-15(9-11-5-3-2-4-6-11)18-19-16(20)24-14-8-7-12(17)10-13(14)21(22)23/h2-8,10H,9H2,1H3