7-methoxy-4-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7-methoxy-4-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 4-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 7-methoxy-4-[[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-7-methoxy-coumarin Formula: C21H19N3O3S MolecularWeight: 393.45886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C21H19N3O3S/c1-14-22-23-21(24(14)12-15-6-4-3-5-7-15)28-13-16-10-20(25)27-19-11-17(26-2)8-9-18(16)19/h3-11H,12-13H2,1-2H3