2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-2-phenylbutyl]ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-2-phenylbutyl]ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-phenylbutyl]acetamide CAS Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-[(2S)-2-phenylbutyl]acetamide IUPAC Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-2-phenylbutyl]acetamide Traditional Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-[(2S)-2-phenylbutyl]acetamide Formula: C21H24N4OS2 MolecularWeight: 412.57146

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CSC1=NN=C(N1C2CC2)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CC[C@H](CNC(=O)CSC1=NN=C(N1C2CC2)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4OS2/c1-2-15(16-7-4-3-5-8-16)13-22-19(26)14-28-21-24-23-20(18-9-6-12-27-18)25(21)17-10-11-17/h3-9,12,15,17H,2,10-11,13-14H2,1H3,(H,22,26)/t15-/m1/s1