3-thiophen-3-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-thiophen-3-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(3-thienyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(3-thiophenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-thiophen-3-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(3-thienyl)-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]propionamide Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CCC2=CSC=C2)CN3C=NC=N3

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CCC2=CSC=C2)CN3C=NC=N3

InChI

InChI=1S/C17H18N4OS/c22-17(6-5-16-7-8-23-11-16)19-9-14-1-3-15(4-2-14)10-21-13-18-12-20-21/h1-4,7-8,11-13H,5-6,9-10H2,(H,19,22)