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

Systemtic Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-5-methylhexan-2-yl]ethanamide Openeye Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1,4-dimethylpentyl]acetamide CAS Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-[(2S)-5-methylhexan-2-yl]acetamide IUPAC Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-5-methylhexan-2-yl]acetamide Traditional Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-[(1S)-1,4-dimethylpentyl]acetamide Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)CSC1=NN(C(=N1)C2CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](CCC(C)C)NC(=O)CSC1=NN(C(=N1)C2CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H28N4OS/c1-14(2)9-10-15(3)21-18(25)13-26-20-22-19(16-11-12-16)24(23-20)17-7-5-4-6-8-17/h4-8,14-16H,9-13H2,1-3H3,(H,21,25)/t15-/m0/s1