3-(1,3-benzoxazol-4-yl)-N-[bis(azanyl)methylidene]benzamide; methanesulfonate

Systemtic Name: 3-(1,3-benzoxazol-4-yl)-N-[bis(azanyl)methylidene]benzamide; methanesulfonate Openeye Name: 3-(1,3-benzoxazol-4-yl)-N-(diaminomethylene)benzamide; methanesulfonate CAS Name: 3-(1,3-benzoxazol-4-yl)-N-(diaminomethylidene)benzamide; methanesulfonate IUPAC Name: 3-(1,3-benzoxazol-4-yl)-N-(diaminomethylidene)benzamide; methanesulfonate Traditional Name: 3-(1,3-benzoxazol-4-yl)-N-(diaminomethylene)benzamide mesylate Formula: C16H15N4O5S- MolecularWeight: 375.3791

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC(=CC(=C1)C(=O)N=C(N)N)C2=C3C(=CC=C2)OC=N3

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC(=CC(=C1)C(=O)N=C(N)N)C2=C3C(=CC=C2)OC=N3

InChI

InChI=1S/C15H12N4O2.CH4O3S/c16-15(17)19-14(20)10-4-1-3-9(7-10)11-5-2-6-12-13(11)18-8-21-12;1-5(2,3)4/h1-8H,(H4,16,17,19,20);1H3,(H,2,3,4)/p-1