3-methyl-5-[(4-nitrophenyl)methylsulfanyl]-4-(4-phenylphenyl)-1,2,4-triazole

Systemtic Name: 3-methyl-5-[(4-nitrophenyl)methylsulfanyl]-4-(4-phenylphenyl)-1,2,4-triazole Openeye Name: 3-methyl-5-[(4-nitrophenyl)methylsulfanyl]-4-(4-phenylphenyl)-1,2,4-triazole CAS Name: 3-methyl-5-[(4-nitrophenyl)methylthio]-4-(4-phenylphenyl)-1,2,4-triazole IUPAC Name: 3-methyl-5-[(4-nitrophenyl)methylsulfanyl]-4-(4-phenylphenyl)-1,2,4-triazole Traditional Name: 3-methyl-5-[(4-nitrobenzyl)thio]-4-(4-phenylphenyl)-1,2,4-triazole Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)C3=CC=CC=C3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)C3=CC=CC=C3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O2S/c1-16-23-24-22(29-15-17-7-11-21(12-8-17)26(27)28)25(16)20-13-9-19(10-14-20)18-5-3-2-4-6-18/h2-14H,15H2,1H3