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

Systemtic Name: 3-(2-chloranyl-4-nitro-phenyl)sulfanyl-5-phenyl-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-(2-chloro-4-nitro-phenyl)sulfanyl-5-phenyl-1,2,4-triazole CAS Name: 3-[(2-chloro-4-nitrophenyl)thio]-5-phenyl-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-(2-chloro-4-nitrophenyl)sulfanyl-5-phenyl-1,2,4-triazole Traditional Name: 4-benzyl-3-[(2-chloro-4-nitro-phenyl)thio]-5-phenyl-1,2,4-triazole Formula: C21H15ClN4O2S MolecularWeight: 422.8874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H15ClN4O2S/c22-18-13-17(26(27)28)11-12-19(18)29-21-24-23-20(16-9-5-2-6-10-16)25(21)14-15-7-3-1-4-8-15/h1-13H,14H2