N-[2-(4-methoxyphenyl)ethyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-[2-(4-methoxyphenyl)ethyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)OC)SC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCCC1=CC=C(C=C1)OC)SC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C20H22N4O2S/c1-15(19(25)21-13-12-16-8-10-18(26-2)11-9-16)27-20-23-22-14-24(20)17-6-4-3-5-7-17/h3-11,14-15H,12-13H2,1-2H3,(H,21,25)