3-ethyl-3-[4-(4-nitrophenyl)but-3-ynyl]piperidine-2-thione

Systemtic Name: 3-ethyl-3-[4-(4-nitrophenyl)but-3-ynyl]piperidine-2-thione Openeye Name: 3-ethyl-3-[4-(4-nitrophenyl)but-3-ynyl]piperidine-2-thione CAS Name: 3-ethyl-3-[4-(4-nitrophenyl)but-3-ynyl]-2-piperidinethione IUPAC Name: 3-ethyl-3-[4-(4-nitrophenyl)but-3-ynyl]piperidine-2-thione Traditional Name: 3-ethyl-3-[4-(4-nitrophenyl)but-3-ynyl]piperidine-2-thione Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCNC1=S)CCC#CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1(CCCNC1=S)CCC#CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O2S/c1-2-17(12-5-13-18-16(17)22)11-4-3-6-14-7-9-15(10-8-14)19(20)21/h7-10H,2,4-5,11-13H2,1H3,(H,18,22)