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

Systemtic Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide Openeye Name: 3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide CAS Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[[4-(1-pyrrolidinyl)phenyl]methyl]propanamide IUPAC Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide Traditional Name: 3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(4-pyrrolidinobenzyl)propionamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCC3=CC=C(C=C3)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCC3=CC=C(C=C3)N4CCCC4

InChI

InChI=1S/C23H27N5OS/c1-17-4-8-19(9-5-17)22-25-26-23(30)28(22)15-12-21(29)24-16-18-6-10-20(11-7-18)27-13-2-3-14-27/h4-11H,2-3,12-16H2,1H3,(H,24,29)(H,26,30)