N-(4-butoxyphenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(4-butoxyphenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(4-butoxyphenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(4-butoxyphenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-butoxyphenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-butoxyphenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C16H22N4O2S MolecularWeight: 334.43648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)CCSC2=NN=CN2C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)CCSC2=NN=CN2C

InChI

InChI=1S/C16H22N4O2S/c1-3-4-10-22-14-7-5-13(6-8-14)18-15(21)9-11-23-16-19-17-12-20(16)2/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,21)