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

Systemtic Name: 2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide Openeye Name: 2-[[4-isopentyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide CAS Name: 2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-propylpropanamide IUPAC Name: 2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propylpropanamide Traditional Name: 2-[[4-isoamyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-propyl-propionamide Formula: C20H30N4O2S MolecularWeight: 390.5428

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NN=C(N1CCC(C)C)COC2=CC=CC=C2

Isomeric SMILES

CCCNC(=O)C(C)SC1=NN=C(N1CCC(C)C)COC2=CC=CC=C2

InChI

InChI=1S/C20H30N4O2S/c1-5-12-21-19(25)16(4)27-20-23-22-18(24(20)13-11-15(2)3)14-26-17-9-7-6-8-10-17/h6-10,15-16H,5,11-14H2,1-4H3,(H,21,25)