8-[3-methoxy-4-(phenylsulfinyl)phenyl]pyrazolo[1,5-a][1,3,5]triazin-4-olate hydrate

Systemtic Name: 8-[3-methoxy-4-(phenylsulfinyl)phenyl]pyrazolo[1,5-a][1,3,5]triazin-4-olate hydrate Openeye Name: 8-[4-(benzenesulfinyl)-3-methoxy-phenyl]pyrazolo[1,5-a][1,3,5]triazin-4-olate hydrate CAS Name: 8-[4-(benzenesulfinyl)-3-methoxyphenyl]-4-pyrazolo[1,5-a][1,3,5]triazinolate hydrate IUPAC Name: 8-[4-(benzenesulfinyl)-3-methoxyphenyl]pyrazolo[1,5-a][1,3,5]triazin-4-olate hydrate Traditional Name: 8-[4-(benzenesulfinyl)-3-methoxy-phenyl]pyrazolo[1,5-a][1,3,5]triazin-4-olate hydrate Formula: C18H15N4O4S- MolecularWeight: 383.4011

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C3N=CN=C(N3N=C2)[O-])S(=O)C4=CC=CC=C4.O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C3N=CN=C(N3N=C2)[O-])S(=O)C4=CC=CC=C4.O

InChI

InChI=1S/C18H14N4O3S.H2O/c1-25-15-9-12(14-10-21-22-17(14)19-11-20-18(22)23)7-8-16(15)26(24)13-5-3-2-4-6-13;/h2-11H,1H3,(H,19,20,23);1H2/p-1