3-(3-nitrophenyl)-4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(3-nitrophenyl)-4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(3-nitrophenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-(3-nitrophenyl)-4-phenyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(3-nitrophenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(3-nitrophenyl)-4-phenyl-1,2,4-triazole Formula: C21H16N4O2S MolecularWeight: 388.44234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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