3-[(4-nitrophenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(4-nitrophenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(4-nitrophenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(4-nitrophenyl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(4-nitrophenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(4-nitrobenzyl)thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O3S/c22-16-18-19-17(20(16)11-10-13-4-2-1-3-5-13)25-12-14-6-8-15(9-7-14)21(23)24/h1-9H,10-12H2,(H,18,22)