4-(3,4-dimethylphenyl)-3-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole

Systemtic Name: 4-(3,4-dimethylphenyl)-3-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 4-(3,4-dimethylphenyl)-3-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 4-(3,4-dimethylphenyl)-3-[(3-nitrophenyl)methylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(3,4-dimethylphenyl)-3-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 4-(3,4-dimethylphenyl)-3-[(3-nitrobenzyl)thio]-5-phenyl-1,2,4-triazole Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)C

InChI

InChI=1S/C23H20N4O2S/c1-16-11-12-20(13-17(16)2)26-22(19-8-4-3-5-9-19)24-25-23(26)30-15-18-7-6-10-21(14-18)27(28)29/h3-14H,15H2,1-2H3