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

Systemtic Name: 2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-propanamide Openeye Name: 2-[[4-isopentyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-quinolyl)propanamide CAS Name: 2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolinyl)propanamide IUPAC Name: 2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-ylpropanamide Traditional Name: 2-[[4-isoamyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolyl)propionamide Formula: C26H29N5O2S MolecularWeight: 475.60576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NN=C1SC(C)C(=O)NC2=CC=CC3=C2C=CC=N3)COC4=CC=CC=C4

Isomeric SMILES

CC(C)CCN1C(=NN=C1SC(C)C(=O)NC2=CC=CC3=C2C=CC=N3)COC4=CC=CC=C4

InChI

InChI=1S/C26H29N5O2S/c1-18(2)14-16-31-24(17-33-20-9-5-4-6-10-20)29-30-26(31)34-19(3)25(32)28-23-13-7-12-22-21(23)11-8-15-27-22/h4-13,15,18-19H,14,16-17H2,1-3H3,(H,28,32)