2-(1-methyl-5-nitro-imidazol-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole

Systemtic Name: 2-(1-methyl-5-nitro-imidazol-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole Openeye Name: 2-(1-methyl-5-nitro-imidazol-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole CAS Name: 2-(1-methyl-5-nitro-2-imidazolyl)-5-(4-phenyl-1-piperazinyl)-1,3,4-thiadiazole IUPAC Name: 2-(1-methyl-5-nitroimidazol-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole Traditional Name: 2-(1-methyl-5-nitro-imidazol-2-yl)-5-(4-phenylpiperazino)-1,3,4-thiadiazole Formula: C16H17N7O2S MolecularWeight: 371.41688

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C2=NN=C(S2)N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1C2=NN=C(S2)N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H17N7O2S/c1-20-13(23(24)25)11-17-14(20)15-18-19-16(26-15)22-9-7-21(8-10-22)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3