N-[[5-[(2S)-butan-2-yl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide

Systemtic Name: N-[[5-[(2S)-butan-2-yl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: 4-methoxy-N-[[5-[(1S)-1-methylpropyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: N-[[5-[[(2S)-butan-2-yl]thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[5-[(2S)-butan-2-yl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: 4-methoxy-N-[[5-[[(1S)-1-methylpropyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC[C@H](C)SC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H24N4O2S/c1-4-15(2)28-21-24-23-19(25(21)17-8-6-5-7-9-17)14-22-20(26)16-10-12-18(27-3)13-11-16/h5-13,15H,4,14H2,1-3H3,(H,22,26)/t15-/m0/s1