3-methylsulfanyl-5-(3-nitrophenyl)-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-methylsulfanyl-5-(3-nitrophenyl)-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-methylsulfanyl-5-(3-nitrophenyl)-1,2,4-triazole CAS Name: 3-(methylthio)-5-(3-nitrophenyl)-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-methylsulfanyl-5-(3-nitrophenyl)-1,2,4-triazole Traditional Name: 4-benzyl-3-(methylthio)-5-(3-nitrophenyl)-1,2,4-triazole Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O2S/c1-23-16-18-17-15(13-8-5-9-14(10-13)20(21)22)19(16)11-12-6-3-2-4-7-12/h2-10H,11H2,1H3