1-(diphenylmethyl)-N-[(2S)-4-methylsulfanyl-1-oxidanyl-butan-2-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(diphenylmethyl)-N-[(2S)-4-methylsulfanyl-1-oxidanyl-butan-2-yl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-benzhydryl-N-[(1S)-1-(hydroxymethyl)-3-methylsulfanyl-propyl]triazole-4-carboxamide CAS Name: 1-(diphenylmethyl)-N-[(2S)-1-hydroxy-4-(methylthio)butan-2-yl]-4-triazolecarboxamide IUPAC Name: 1-benzhydryl-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]triazole-4-carboxamide Traditional Name: 1-benzhydryl-N-[(1S)-1-methylol-3-(methylthio)propyl]triazole-4-carboxamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(CO)NC(=O)C1=CN(N=N1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](CO)NC(=O)C1=CN(N=N1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-28-13-12-18(15-26)22-21(27)19-14-25(24-23-19)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14,18,20,26H,12-13,15H2,1H3,(H,22,27)/t18-/m0/s1