(2R)-N-cyclohexyl-2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: (2R)-N-cyclohexyl-2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: (2R)-N-cyclohexyl-2-[[5-(7-methoxybenzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-cyclohexyl-2-[[5-(7-methoxy-2-benzofuranyl)-4-methyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2R)-N-cyclohexyl-2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: (2R)-N-cyclohexyl-2-[[5-(7-methoxybenzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H26N4O3S MolecularWeight: 414.52114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)SC2=NN=C(N2C)C3=CC4=C(O3)C(=CC=C4)OC

Isomeric SMILES

C[C@H](C(=O)NC1CCCCC1)SC2=NN=C(N2C)C3=CC4=C(O3)C(=CC=C4)OC

InChI

InChI=1S/C21H26N4O3S/c1-13(20(26)22-15-9-5-4-6-10-15)29-21-24-23-19(25(21)2)17-12-14-8-7-11-16(27-3)18(14)28-17/h7-8,11-13,15H,4-6,9-10H2,1-3H3,(H,22,26)/t13-/m1/s1