N-[bis(azanyl)methylidene]-4-butyl-2-ethynyl-3-methylsulfonyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-4-butyl-2-ethynyl-3-methylsulfonyl-benzamide Openeye Name: 4-butyl-N-(diaminomethylene)-2-ethynyl-3-methylsulfonyl-benzamide CAS Name: 4-butyl-N-(diaminomethylidene)-2-ethynyl-3-methylsulfonylbenzamide IUPAC Name: 4-butyl-N-(diaminomethylidene)-2-ethynyl-3-methylsulfonylbenzamide Traditional Name: 4-butyl-N-(diaminomethylene)-2-ethynyl-3-mesyl-benzamide Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1)C(=O)N=C(N)N)C#C)S(=O)(=O)C

Isomeric SMILES

CCCCC1=C(C(=C(C=C1)C(=O)N=C(N)N)C#C)S(=O)(=O)C

InChI

InChI=1S/C15H19N3O3S/c1-4-6-7-10-8-9-12(14(19)18-15(16)17)11(5-2)13(10)22(3,20)21/h2,8-9H,4,6-7H2,1,3H3,(H4,16,17,18,19)