[5-(4-bromophenyl)thiophen-2-yl]-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone

Systemtic Name: [5-(4-bromophenyl)thiophen-2-yl]-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Openeye Name: [5-(4-bromophenyl)-2-thienyl]-[4-(6-nitro-3-pyridyl)piperazin-1-yl]methanone CAS Name: [5-(4-bromophenyl)-2-thiophenyl]-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [5-(4-bromophenyl)thiophen-2-yl]-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Traditional Name: [5-(4-bromophenyl)-2-thienyl]-[4-(6-nitro-3-pyridyl)piperazino]methanone Formula: C20H17BrN4O3S MolecularWeight: 473.34298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(S3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(S3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H17BrN4O3S/c21-15-3-1-14(2-4-15)17-6-7-18(29-17)20(26)24-11-9-23(10-12-24)16-5-8-19(22-13-16)25(27)28/h1-8,13H,9-12H2