4-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-methyl-5-(1-methyl-5-nitro-imidazol-2-yl)-1,2,4-triazole CAS Name: 4-methyl-3-(1-methyl-5-nitro-2-imidazolyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-methyl-5-(1-methyl-5-nitroimidazol-2-yl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-methyl-5-(1-methyl-5-nitro-imidazol-2-yl)-1,2,4-triazole Formula: C14H14N6O2S MolecularWeight: 330.36496

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C2=NN=C(N2C)SCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1C2=NN=C(N2C)SCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H14N6O2S/c1-18-11(20(21)22)8-15-12(18)13-16-17-14(19(13)2)23-9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3