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

Systemtic Name: 3-[(4-nitrophenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole Openeye Name: 3-[(4-nitrophenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole CAS Name: 3-[(4-nitrophenyl)methylthio]-4,5-diphenyl-1,2,4-triazole IUPAC Name: 3-[(4-nitrophenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole Traditional Name: 3-[(4-nitrobenzyl)thio]-4,5-diphenyl-1,2,4-triazole Formula: C21H16N4O2S MolecularWeight: 388.44234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O2S/c26-25(27)19-13-11-16(12-14-19)15-28-21-23-22-20(17-7-3-1-4-8-17)24(21)18-9-5-2-6-10-18/h1-14H,15H2