N-[bis(azanyl)methylidene]-3-(2-chloranyl-1-benzothiophen-3-yl)benzamide; methanesulfonic acid

Systemtic Name: N-[bis(azanyl)methylidene]-3-(2-chloranyl-1-benzothiophen-3-yl)benzamide; methanesulfonic acid Openeye Name: 3-(2-chlorobenzothiophen-3-yl)-N-(diaminomethylene)benzamide; methanesulfonic acid CAS Name: 3-(2-chloro-1-benzothiophen-3-yl)-N-(diaminomethylidene)benzamide; methanesulfonic acid IUPAC Name: 3-(2-chloro-1-benzothiophen-3-yl)-N-(diaminomethylidene)benzamide; methanesulfonic acid Traditional Name: 3-(2-chlorobenzothiophen-3-yl)-N-(diaminomethylene)benzamide; mesylic acid Formula: C17H16ClN3O4S2 MolecularWeight: 425.90964

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC=C2C(=C1)C(=C(S2)Cl)C3=CC(=CC=C3)C(=O)N=C(N)N

Isomeric SMILES

CS(=O)(=O)O.C1=CC=C2C(=C1)C(=C(S2)Cl)C3=CC(=CC=C3)C(=O)N=C(N)N

InChI

InChI=1S/C16H12ClN3OS.CH4O3S/c17-14-13(11-6-1-2-7-12(11)22-14)9-4-3-5-10(8-9)15(21)20-16(18)19;1-5(2,3)4/h1-8H,(H4,18,19,20,21);1H3,(H,2,3,4)