6-chloranyl-3-[[4-(6-phenyl-3-sulfanylidene-1,2,4-triazinan-4-yl)phenyl]iminomethyl]chromen-4-one

Systemtic Name: 6-chloranyl-3-[[4-(6-phenyl-3-sulfanylidene-1,2,4-triazinan-4-yl)phenyl]iminomethyl]chromen-4-one Openeye Name: 6-chloro-3-[[4-(6-phenyl-3-thioxo-1,2,4-triazinan-4-yl)phenyl]iminomethyl]chromen-4-one CAS Name: 6-chloro-3-[[4-(6-phenyl-3-sulfanylidene-1,2,4-triazinan-4-yl)phenyl]iminomethyl]-1-benzopyran-4-one IUPAC Name: 6-chloro-3-[[4-(6-phenyl-3-sulfanylidene-1,2,4-triazinan-4-yl)phenyl]iminomethyl]chromen-4-one Traditional Name: 6-chloro-3-[[4-(6-phenyl-3-thioxo-1,2,4-triazinan-4-yl)phenyl]iminomethyl]chromone Formula: C25H19ClN4O2S MolecularWeight: 474.96196

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NNC(=S)N1C2=CC=C(C=C2)N=CC3=COC4=C(C3=O)C=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1C(NNC(=S)N1C2=CC=C(C=C2)N=CC3=COC4=C(C3=O)C=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C25H19ClN4O2S/c26-18-6-11-23-21(12-18)24(31)17(15-32-23)13-27-19-7-9-20(10-8-19)30-14-22(28-29-25(30)33)16-4-2-1-3-5-16/h1-13,15,22,28H,14H2,(H,29,33)