N-[bis(azanyl)methylidene]-2-(2-chloranyl-4-methylsulfonyl-phenyl)-3-cyclopropyl-1,3-dihydropyrazole-4-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-(2-chloranyl-4-methylsulfonyl-phenyl)-3-cyclopropyl-1,3-dihydropyrazole-4-carboxamide Openeye Name: 2-(2-chloro-4-methylsulfonyl-phenyl)-3-cyclopropyl-N-(diaminomethylene)-1,3-dihydropyrazole-4-carboxamide CAS Name: 2-(2-chloro-4-methylsulfonylphenyl)-3-cyclopropyl-N-(diaminomethylidene)-1,3-dihydropyrazole-4-carboxamide IUPAC Name: 2-(2-chloro-4-methylsulfonylphenyl)-3-cyclopropyl-N-(diaminomethylidene)-1,3-dihydropyrazole-4-carboxamide Traditional Name: 1-(2-chloro-4-mesyl-phenyl)-5-cyclopropyl-N-(diaminomethylene)-3-pyrazoline-4-carboxamide Formula: C15H18ClN5O3S MolecularWeight: 383.85312

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2C(C(=CN2)C(=O)N=C(N)N)C3CC3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2C(C(=CN2)C(=O)N=C(N)N)C3CC3)Cl

InChI

InChI=1S/C15H18ClN5O3S/c1-25(23,24)9-4-5-12(11(16)6-9)21-13(8-2-3-8)10(7-19-21)14(22)20-15(17)18/h4-8,13,19H,2-3H2,1H3,(H4,17,18,20,22)