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

Systemtic Name: 4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[[5-(4-ethylphenyl)-1H-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:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C21H19N3O3S/c1-3-13-4-6-14(7-5-13)20-22-21(24-23-20)28-12-15-10-19(25)27-18-11-16(26-2)8-9-17(15)18/h4-11H,3,12H2,1-2H3,(H,22,23,24)