N-[(1S,2S)-2-methylcyclohexyl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanamide Openeye Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetamide CAS Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[[4-(1-pyrazolyl)phenyl]methylthio]acetamide IUPAC Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetamide Traditional Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[(4-pyrazol-1-ylbenzyl)thio]acetamide Formula: C19H25N3OS MolecularWeight: 343.4863

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)CSCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C19H25N3OS/c1-15-5-2-3-6-18(15)21-19(23)14-24-13-16-7-9-17(10-8-16)22-12-4-11-20-22/h4,7-12,15,18H,2-3,5-6,13-14H2,1H3,(H,21,23)/t15-,18-/m0/s1