2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCCCC2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCCCC2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O3S/c1-19-15(12-6-5-7-13(10-12)21(23)24)17-18-16(19)25-11-14(22)20-8-3-2-4-9-20/h5-7,10H,2-4,8-9,11H2,1H3