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

Systemtic Name: 3-[(4-methylphenyl)methylsulfanyl]-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-(4-nitrophenyl)-4-phenyl-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-[(4-methylphenyl)methylthio]-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-methylphenyl)methylsulfanyl]-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-methylbenzyl)thio]-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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