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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

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