N-[(1-tert-butylpyrazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine

Systemtic Name: N-[(1-tert-butylpyrazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine Openeye Name: N-[(1-tert-butylpyrazol-4-yl)methyl]thiochroman-4-amine CAS Name: N-[(1-tert-butyl-4-pyrazolyl)methyl]-3,4-dihydro-2H-1-benzothiopyran-4-amine IUPAC Name: N-[(1-tert-butylpyrazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine Traditional Name: (1-tert-butylpyrazol-4-yl)methyl-thiochroman-4-yl-amine Formula: C17H23N3S MolecularWeight: 301.44962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C=N1)CNC2CCSC3=CC=CC=C23

Isomeric SMILES

CC(C)(C)N1C=C(C=N1)CNC2CCSC3=CC=CC=C23

InChI

InChI=1S/C17H23N3S/c1-17(2,3)20-12-13(11-19-20)10-18-15-8-9-21-16-7-5-4-6-14(15)16/h4-7,11-12,15,18H,8-10H2,1-3H3