7-methoxy-4-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)chromen-2-one

Systemtic Name: 7-methoxy-4-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)chromen-2-one Openeye Name: 7-methoxy-4-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)chromen-2-one CAS Name: 7-methoxy-4-[(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)chromen-2-one Traditional Name: 7-methoxy-4-[(5H-[1,2,4]triazin[5,6-b]indol-3-ylthio)methyl]coumarin Formula: C20H14N4O3S MolecularWeight: 390.41516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(C5=CC=CC=C5N4)N=N3

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(C5=CC=CC=C5N4)N=N3

InChI

InChI=1S/C20H14N4O3S/c1-26-12-6-7-13-11(8-17(25)27-16(13)9-12)10-28-20-22-19-18(23-24-20)14-4-2-3-5-15(14)21-19/h2-9H,10H2,1H3,(H,21,22,24)