1-[4-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-[(5-chloro-2-thienyl)methyl]piperazino]-3-nitro-phenyl]ethanone Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=C(S3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=C(S3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H18ClN3O3S/c1-12(22)13-2-4-15(16(10-13)21(23)24)20-8-6-19(7-9-20)11-14-3-5-17(18)25-14/h2-5,10H,6-9,11H2,1H3