(2R)-N-cycloheptyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: (2R)-N-cycloheptyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: (2R)-N-cycloheptyl-2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-cycloheptyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2R)-N-cycloheptyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: (2R)-N-cycloheptyl-2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2CCCCCC2)C3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN=C1S[C@H](C)C(=O)NC2CCCCCC2)C3=CC=CC=C3C

InChI

InChI=1S/C21H30N4OS/c1-4-25-19(18-14-10-9-11-15(18)2)23-24-21(25)27-16(3)20(26)22-17-12-7-5-6-8-13-17/h9-11,14,16-17H,4-8,12-13H2,1-3H3,(H,22,26)/t16-/m1/s1