(2R)-2-[[4-butyl-5-[(1S)-1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-propanamide

Systemtic Name: (2R)-2-[[4-butyl-5-[(1S)-1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-propanamide Openeye Name: (2R)-2-[[4-butyl-5-[(1S)-1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-propanamide CAS Name: (2R)-2-[[4-butyl-5-[(1S)-1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]thio]-N-cyclopropylpropanamide IUPAC Name: (2R)-2-[[4-butyl-5-[(1S)-1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylpropanamide Traditional Name: (2R)-2-[[4-butyl-5-[(1S)-1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-propionamide Formula: C17H31N5OS MolecularWeight: 353.52594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SC(C)C(=O)NC2CC2)C(CC)N(C)C

Isomeric SMILES

CCCCN1C(=NN=C1S[C@H](C)C(=O)NC2CC2)[C@H](CC)N(C)C

InChI

InChI=1S/C17H31N5OS/c1-6-8-11-22-15(14(7-2)21(4)5)19-20-17(22)24-12(3)16(23)18-13-9-10-13/h12-14H,6-11H2,1-5H3,(H,18,23)/t12-,14+/m1/s1