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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NN=C1SC(C)C(=O)NC(C)C)COC2=CC=CC=C2

Isomeric SMILES

CC(C)CCN1C(=NN=C1SC(C)C(=O)NC(C)C)COC2=CC=CC=C2

InChI

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