1-[(5-bromanylthiophen-2-yl)methyl]-4-(3-methyl-5-nitro-imidazol-4-yl)piperazine

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)methyl]-4-(3-methyl-5-nitro-imidazol-4-yl)piperazine Openeye Name: 1-[(5-bromo-2-thienyl)methyl]-4-(3-methyl-5-nitro-imidazol-4-yl)piperazine CAS Name: 1-[(5-bromo-2-thiophenyl)methyl]-4-(3-methyl-5-nitro-4-imidazolyl)piperazine IUPAC Name: 1-[(5-bromothiophen-2-yl)methyl]-4-(3-methyl-5-nitroimidazol-4-yl)piperazine Traditional Name: 1-[(5-bromo-2-thienyl)methyl]-4-(3-methyl-5-nitro-imidazol-4-yl)piperazine Formula: C13H16BrN5O2S MolecularWeight: 386.26744

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1N2CCN(CC2)CC3=CC=C(S3)Br)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1N2CCN(CC2)CC3=CC=C(S3)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H16BrN5O2S/c1-16-9-15-12(19(20)21)13(16)18-6-4-17(5-7-18)8-10-2-3-11(14)22-10/h2-3,9H,4-8H2,1H3