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

Systemtic Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(3-pyrrolidin-1-ylcarbonylphenyl)methyl]ethanamide Openeye Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide CAS Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[[3-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]acetamide IUPAC Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide Traditional Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[3-(pyrrolidine-1-carbonyl)benzyl]acetamide Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)NCC3=CC=CC(=C3)C(=O)N4CCCC4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)NCC3=CC=CC(=C3)C(=O)N4CCCC4

InChI

InChI=1S/C23H25N5O2S/c1-16-6-4-8-18(12-16)21-25-26-23(31)28(21)15-20(29)24-14-17-7-5-9-19(13-17)22(30)27-10-2-3-11-27/h4-9,12-13H,2-3,10-11,14-15H2,1H3,(H,24,29)(H,26,31)