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

Systemtic Name: N-phenethyl-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-phenethyl-propanamide CAS Name: N-phenethyl-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-phenethylpropanamide Traditional Name: 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-phenethyl-propionamide Formula: C26H26N4OS MolecularWeight: 442.57584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H26N4OS/c1-20(25(31)27-18-17-21-11-5-2-6-12-21)32-26-29-28-24(23-15-9-4-10-16-23)30(26)19-22-13-7-3-8-14-22/h2-16,20H,17-19H2,1H3,(H,27,31)