[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-(2-methyl-5-nitro-pyridin-3-yl)methanone

Systemtic Name: [4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-(2-methyl-5-nitro-pyridin-3-yl)methanone Openeye Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-(2-methyl-5-nitro-3-pyridyl)methanone CAS Name: [4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-(2-methyl-5-nitro-3-pyridinyl)methanone IUPAC Name: [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(2-methyl-5-nitropyridin-3-yl)methanone Traditional Name: [4-[(5-chloro-2-thienyl)methyl]piperazino]-(2-methyl-5-nitro-3-pyridyl)methanone Formula: C16H17ClN4O3S MolecularWeight: 380.84918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1C(=O)N2CCN(CC2)CC3=CC=C(S3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(C=C1C(=O)N2CCN(CC2)CC3=CC=C(S3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H17ClN4O3S/c1-11-14(8-12(9-18-11)21(23)24)16(22)20-6-4-19(5-7-20)10-13-2-3-15(17)25-13/h2-3,8-9H,4-7,10H2,1H3