(1S)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: (1S)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclohex-3-ene-1-carboxamide Openeye Name: (1S)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclohex-3-ene-1-carboxamide CAS Name: (1S)-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-1-cyclohex-3-enecarboxamide IUPAC Name: (1S)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclohex-3-ene-1-carboxamide Traditional Name: (1S)-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]cyclohex-3-ene-1-carboxamide Formula: C19H21N3OS MolecularWeight: 339.45454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3CCC=CC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)[C@H]3CCC=CC3)C

InChI

InChI=1S/C19H21N3OS/c1-13-12-14(2)21-19(20-13)24-17-10-8-16(9-11-17)22-18(23)15-6-4-3-5-7-15/h3-4,8-12,15H,5-7H2,1-2H3,(H,22,23)/t15-/m1/s1