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

Systemtic Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(4-pyrrolidinobenzyl)acetamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5OS/c1-16-4-8-18(9-5-16)21-24-25-22(29)27(21)15-20(28)23-14-17-6-10-19(11-7-17)26-12-2-3-13-26/h4-11H,2-3,12-15H2,1H3,(H,23,28)(H,25,29)