2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-bis(phenylmethyl)propanamide

Systemtic Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-bis(phenylmethyl)propanamide Openeye Name: N,N-dibenzyl-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N,N-bis(phenylmethyl)propanamide IUPAC Name: N,N-dibenzyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N,N-dibenzyl-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C26H27N5OS MolecularWeight: 457.59048

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C26H27N5OS/c1-3-31-24(23-14-16-27-17-15-23)28-29-26(31)33-20(2)25(32)30(18-21-10-6-4-7-11-21)19-22-12-8-5-9-13-22/h4-17,20H,3,18-19H2,1-2H3