3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-pyrrolidin-1-ylbutyl)propanamide

Systemtic Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-pyrrolidin-1-ylbutyl)propanamide Openeye Name: 3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(2-pyrrolidin-1-ylbutyl)propanamide CAS Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[2-(1-pyrrolidinyl)butyl]propanamide IUPAC Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-pyrrolidin-1-ylbutyl)propanamide Traditional Name: 3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(2-pyrrolidinobutyl)propionamide Formula: C20H29N5OS MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CCN1C(=NNC1=S)C2=CC=C(C=C2)C)N3CCCC3

Isomeric SMILES

CCC(CNC(=O)CCN1C(=NNC1=S)C2=CC=C(C=C2)C)N3CCCC3

InChI

InChI=1S/C20H29N5OS/c1-3-17(24-11-4-5-12-24)14-21-18(26)10-13-25-19(22-23-20(25)27)16-8-6-15(2)7-9-16/h6-9,17H,3-5,10-14H2,1-2H3,(H,21,26)(H,23,27)