N-butan-2-yl-2-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-butan-2-yl-2-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-sec-butyl-propanamide CAS Name: N-butan-2-yl-2-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-butan-2-ylpropanamide Traditional Name: 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-sec-butyl-propionamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C(C)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C)NC(=O)C(C)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4OS/c1-4-16(2)23-21(27)17(3)28-22-25-24-20(19-13-9-6-10-14-19)26(22)15-18-11-7-5-8-12-18/h5-14,16-17H,4,15H2,1-3H3,(H,23,27)