N-[1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]thian-4-amine

Systemtic Name: N-[1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]thian-4-amine Openeye Name: N-[1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]tetrahydrothiopyran-4-amine CAS Name: N-[1-[1-(4-methoxyphenyl)-5-methyl-4-pyrazolyl]ethyl]-4-thianamine IUPAC Name: N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]thian-4-amine Traditional Name: 1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl-tetrahydrothiopyran-4-yl-amine Formula: C18H25N3OS MolecularWeight: 331.4756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)OC)C(C)NC3CCSCC3

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)OC)C(C)NC3CCSCC3

InChI

InChI=1S/C18H25N3OS/c1-13(20-15-8-10-23-11-9-15)18-12-19-21(14(18)2)16-4-6-17(22-3)7-5-16/h4-7,12-13,15,20H,8-11H2,1-3H3