N-[3-(pyrazol-1-ylmethyl)phenyl]thian-4-amine

Systemtic Name: N-[3-(pyrazol-1-ylmethyl)phenyl]thian-4-amine Openeye Name: N-[3-(pyrazol-1-ylmethyl)phenyl]tetrahydrothiopyran-4-amine CAS Name: N-[3-(1-pyrazolylmethyl)phenyl]-4-thianamine IUPAC Name: N-[3-(pyrazol-1-ylmethyl)phenyl]thian-4-amine Traditional Name: [3-(pyrazol-1-ylmethyl)phenyl]-tetrahydrothiopyran-4-yl-amine Formula: C15H19N3S MolecularWeight: 273.39646

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1NC2=CC=CC(=C2)CN3C=CC=N3

Isomeric SMILES

C1CSCCC1NC2=CC=CC(=C2)CN3C=CC=N3

InChI

InChI=1S/C15H19N3S/c1-3-13(12-18-8-2-7-16-18)11-15(4-1)17-14-5-9-19-10-6-14/h1-4,7-8,11,14,17H,5-6,9-10,12H2