2-[[4-[(1S,2S)-2-methylcyclohexyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[[4-[(1S,2S)-2-methylcyclohexyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[[4-[(1S,2S)-2-methylcyclohexyl]-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-[(1S,2S)-2-methylcyclohexyl]-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-prop-2-enylacetamide IUPAC Name: 2-[[4-[(1S,2S)-2-methylcyclohexyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[[4-[(1S,2S)-2-methylcyclohexyl]-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H25N5OS MolecularWeight: 371.4997

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2C(=NN=C2SCC(=O)NCC=C)C3=CN=CC=C3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1N2C(=NN=C2SCC(=O)NCC=C)C3=CN=CC=C3

InChI

InChI=1S/C19H25N5OS/c1-3-10-21-17(25)13-26-19-23-22-18(15-8-6-11-20-12-15)24(19)16-9-5-4-7-14(16)2/h3,6,8,11-12,14,16H,1,4-5,7,9-10,13H2,2H3,(H,21,25)/t14-,16-/m0/s1