2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-propanamide

Systemtic Name: 2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-propanamide Openeye Name: 2-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-quinolyl)propanamide CAS Name: 2-[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolinyl)propanamide IUPAC Name: 2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-ylpropanamide Traditional Name: 2-[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]-N-(5-quinolyl)propionamide Formula: C25H26N6OS MolecularWeight: 458.57854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)NC3=CC=CC4=C3C=CC=N4)N5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)NC3=CC=CC4=C3C=CC=N4)N5CCCC5

InChI

InChI=1S/C25H26N6OS/c1-17-10-12-19(13-11-17)31-24(30-15-3-4-16-30)28-29-25(31)33-18(2)23(32)27-22-9-5-8-21-20(22)7-6-14-26-21/h5-14,18H,3-4,15-16H2,1-2H3,(H,27,32)