3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(3-pyrrolidin-1-ylcarbonylphenyl)methyl]propanamide

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(3-pyrrolidin-1-ylcarbonylphenyl)methyl]propanamide Openeye Name: 3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide CAS Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[[3-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]propanamide IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide Traditional Name: 3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)benzyl]propionamide Formula: C25H29N5O3S MolecularWeight: 479.59446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCC3=CC=CC(=C3)C(=O)N4CCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCC3=CC=CC(=C3)C(=O)N4CCCC4

InChI

InChI=1S/C25H29N5O3S/c1-2-33-21-10-8-19(9-11-21)23-27-28-25(34)30(23)15-12-22(31)26-17-18-6-5-7-20(16-18)24(32)29-13-3-4-14-29/h5-11,16H,2-4,12-15,17H2,1H3,(H,26,31)(H,28,34)