N-methyl-N-[(4-nitrophenyl)methyl]thian-4-amine

Systemtic Name: N-methyl-N-[(4-nitrophenyl)methyl]thian-4-amine Openeye Name: N-methyl-N-[(4-nitrophenyl)methyl]tetrahydrothiopyran-4-amine CAS Name: N-methyl-N-[(4-nitrophenyl)methyl]-4-thianamine IUPAC Name: N-methyl-N-[(4-nitrophenyl)methyl]thian-4-amine Traditional Name: methyl-(4-nitrobenzyl)-tetrahydrothiopyran-4-yl-amine Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CCSCC2

Isomeric SMILES

CN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CCSCC2

InChI

InChI=1S/C13H18N2O2S/c1-14(12-6-8-18-9-7-12)10-11-2-4-13(5-3-11)15(16)17/h2-5,12H,6-10H2,1H3