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

Systemtic Name: 7-ethyl-4-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)chromen-2-one Openeye Name: 7-ethyl-4-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)chromen-2-one CAS Name: 7-ethyl-4-[(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)chromen-2-one Traditional Name: 7-ethyl-4-[(5H-[1,2,4]triazin[5,6-b]indol-3-ylthio)methyl]coumarin Formula: C21H16N4O2S MolecularWeight: 388.44234

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(C5=CC=CC=C5N4)N=N3

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(C5=CC=CC=C5N4)N=N3

InChI

InChI=1S/C21H16N4O2S/c1-2-12-7-8-14-13(10-18(26)27-17(14)9-12)11-28-21-23-20-19(24-25-21)15-5-3-4-6-16(15)22-20/h3-10H,2,11H2,1H3,(H,22,23,25)