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

Systemtic Name: 3-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 3-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C17H17N5OS MolecularWeight: 339.41478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCCC(=O)N)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCCC(=O)N)C3=CC=NC=C3

InChI

InChI=1S/C17H17N5OS/c18-15(23)8-11-24-17-21-20-16(14-6-9-19-10-7-14)22(17)12-13-4-2-1-3-5-13/h1-7,9-10H,8,11-12H2,(H2,18,23)