6,7-dimethyl-4-[[5-[(2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[[5-[(2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[5-[(2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[[5-[(2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[5-[(2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[[5-[(2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C22H21N3O3S MolecularWeight: 407.48544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NC(=NN2)SCC3=CC(=O)OC4=CC(=C(C=C34)C)C

Isomeric SMILES

CC1=CC=CC=C1OCC2=NC(=NN2)SCC3=CC(=O)OC4=CC(=C(C=C34)C)C

InChI

InChI=1S/C22H21N3O3S/c1-13-6-4-5-7-18(13)27-11-20-23-22(25-24-20)29-12-16-10-21(26)28-19-9-15(3)14(2)8-17(16)19/h4-10H,11-12H2,1-3H3,(H,23,24,25)