2-chloranyl-3-phenanthro[9,10-e][1,2,4]triazin-3-ylsulfanyl-naphthalene-1,4-dione

Systemtic Name: 2-chloranyl-3-phenanthro[9,10-e][1,2,4]triazin-3-ylsulfanyl-naphthalene-1,4-dione Openeye Name: 2-chloro-3-phenanthro[9,10-e][1,2,4]triazin-3-ylsulfanyl-naphthalene-1,4-dione CAS Name: 2-chloro-3-(3-phenanthro[9,10-e][1,2,4]triazinylthio)naphthalene-1,4-dione IUPAC Name: 2-chloro-3-phenanthro[9,10-e][1,2,4]triazin-3-ylsulfanylnaphthalene-1,4-dione Traditional Name: 2-chloro-3-(phenanthro[9,10-e][1,2,4]triazin-3-ylthio)-1,4-naphthoquinone Formula: C25H12ClN3O2S MolecularWeight: 453.89968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2N=C(N=N4)SC5=C(C(=O)C6=CC=CC=C6C5=O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2N=C(N=N4)SC5=C(C(=O)C6=CC=CC=C6C5=O)Cl

InChI

InChI=1S/C25H12ClN3O2S/c26-19-22(30)17-11-5-6-12-18(17)23(31)24(19)32-25-27-20-15-9-3-1-7-13(15)14-8-2-4-10-16(14)21(20)28-29-25/h1-12H