1-[(E)-3-[3-methylsulfanyl-5-(4-nitrophenyl)-1,2,4-triazol-4-yl]prop-2-enyl]piperidine

Systemtic Name: 1-[(E)-3-[3-methylsulfanyl-5-(4-nitrophenyl)-1,2,4-triazol-4-yl]prop-2-enyl]piperidine Openeye Name: 1-[(E)-3-[3-methylsulfanyl-5-(4-nitrophenyl)-1,2,4-triazol-4-yl]allyl]piperidine CAS Name: 1-[(E)-3-[3-(methylthio)-5-(4-nitrophenyl)-1,2,4-triazol-4-yl]prop-2-enyl]piperidine IUPAC Name: 1-[(E)-3-[3-methylsulfanyl-5-(4-nitrophenyl)-1,2,4-triazol-4-yl]prop-2-enyl]piperidine Traditional Name: 1-[(E)-3-[3-(methylthio)-5-(4-nitrophenyl)-1,2,4-triazol-4-yl]allyl]piperidine Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C=CCN2CCCCC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=NN=C(N1/C=C/CN2CCCCC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O2S/c1-25-17-19-18-16(14-6-8-15(9-7-14)22(23)24)21(17)13-5-12-20-10-3-2-4-11-20/h5-9,13H,2-4,10-12H2,1H3/b13-5+