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

Systemtic Name: N-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]propanamide Openeye Name: N-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]propanamide CAS Name: N-[4-[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]phenyl]propanamide IUPAC Name: N-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]propanamide Traditional Name: N-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]phenyl]propionamide Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C19H18N4O2S/c1-2-17(25)20-15-10-8-13(9-11-15)16(24)12-26-19-21-18(22-23-19)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,20,25)(H,21,22,23)