1-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-5-nitro-benzimidazole

Systemtic Name: 1-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-5-nitro-benzimidazole Openeye Name: 1-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-5-nitro-benzimidazole CAS Name: 1-methyl-2-[2-(4-methyl-1-piperazinyl)ethylthio]-5-nitrobenzimidazole IUPAC Name: 1-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-5-nitrobenzimidazole Traditional Name: 1-methyl-2-[2-(4-methylpiperazino)ethylthio]-5-nitro-benzimidazole Formula: C15H21N5O2S MolecularWeight: 335.42454

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCSC2=NC3=C(N2C)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)CCSC2=NC3=C(N2C)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H21N5O2S/c1-17-5-7-19(8-6-17)9-10-23-15-16-13-11-12(20(21)22)3-4-14(13)18(15)2/h3-4,11H,5-10H2,1-2H3