N-[bis(azanyl)methylidene]-3-(6-fluoranyl-2H-chromen-4-yl)benzamide; methanesulfonic acid

Systemtic Name: N-[bis(azanyl)methylidene]-3-(6-fluoranyl-2H-chromen-4-yl)benzamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-3-(6-fluoro-2H-chromen-4-yl)benzamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-3-(6-fluoro-2H-1-benzopyran-4-yl)benzamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-3-(6-fluoro-2H-chromen-4-yl)benzamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-3-(6-fluoro-2H-chromen-4-yl)benzamide; mesylic acid Formula: C18H18FN3O5S MolecularWeight: 407.416023

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1C=C(C2=C(O1)C=CC(=C2)F)C3=CC(=CC=C3)C(=O)N=C(N)N

Isomeric SMILES

CS(=O)(=O)O.C1C=C(C2=C(O1)C=CC(=C2)F)C3=CC(=CC=C3)C(=O)N=C(N)N

InChI

InChI=1S/C17H14FN3O2.CH4O3S/c18-12-4-5-15-14(9-12)13(6-7-23-15)10-2-1-3-11(8-10)16(22)21-17(19)20;1-5(2,3)4/h1-6,8-9H,7H2,(H4,19,20,21,22);1H3,(H,2,3,4)