methyl 2-methoxy-5-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-benzoate

Systemtic Name: methyl 2-methoxy-5-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-benzoate Openeye Name: methyl 2-methoxy-5-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-benzoate CAS Name: 2-methoxy-5-[[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methylbenzoate Traditional Name: 2-methoxy-5-[[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-3-methyl-benzoic acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CSC2=NN=C(N2C3=CC=CC=C3)COC)C(=O)OC)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)CSC2=NN=C(N2C3=CC=CC=C3)COC)C(=O)OC)OC

InChI

InChI=1S/C21H23N3O4S/c1-14-10-15(11-17(19(14)27-3)20(25)28-4)13-29-21-23-22-18(12-26-2)24(21)16-8-6-5-7-9-16/h5-11H,12-13H2,1-4H3