1-[4-cyclopropyl-5-[(5-nitrothiophen-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-4-methyl-piperidine

Systemtic Name: 1-[4-cyclopropyl-5-[(5-nitrothiophen-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-4-methyl-piperidine Openeye Name: 1-[4-cyclopropyl-5-[(5-nitro-3-thienyl)methylsulfanyl]-1,2,4-triazol-3-yl]-4-methyl-piperidine CAS Name: 1-[4-cyclopropyl-5-[(5-nitro-3-thiophenyl)methylthio]-1,2,4-triazol-3-yl]-4-methylpiperidine IUPAC Name: 1-[4-cyclopropyl-5-[(5-nitrothiophen-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-4-methylpiperidine Traditional Name: 1-[4-cyclopropyl-5-[(5-nitro-3-thienyl)methylthio]-1,2,4-triazol-3-yl]-4-methyl-piperidine Formula: C16H21N5O2S2 MolecularWeight: 379.50024

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NN=C(N2C3CC3)SCC4=CSC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=NN=C(N2C3CC3)SCC4=CSC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O2S2/c1-11-4-6-19(7-5-11)15-17-18-16(20(15)13-2-3-13)25-10-12-8-14(21(22)23)24-9-12/h8-9,11,13H,2-7,10H2,1H3