N,N-bis[(2R)-butan-2-yl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N,N-bis[(2R)-butan-2-yl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N,N-bis[(1R)-1-methylpropyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N,N-bis[(2R)-butan-2-yl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N,N-bis[(2R)-butan-2-yl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N,N-bis[(1R)-1-methylpropyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H26N4OS MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C(C)CC)C(=O)CSC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

CC[C@@H](C)N([C@H](C)CC)C(=O)CSC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C18H26N4OS/c1-5-13(3)22(14(4)6-2)16(23)12-24-18-19-17(20-21-18)15-10-8-7-9-11-15/h7-11,13-14H,5-6,12H2,1-4H3,(H,19,20,21)/t13-,14-/m1/s1