N-[bis(azanyl)methylidene]-2-ethyl-5-methylsulfonyl-4-pyridin-4-ylsulfanyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-ethyl-5-methylsulfonyl-4-pyridin-4-ylsulfanyl-benzamide Openeye Name: N-(diaminomethylene)-2-ethyl-5-methylsulfonyl-4-(4-pyridylsulfanyl)benzamide CAS Name: N-(diaminomethylidene)-2-ethyl-5-methylsulfonyl-4-(pyridin-4-ylthio)benzamide IUPAC Name: N-(diaminomethylidene)-2-ethyl-5-methylsulfonyl-4-pyridin-4-ylsulfanylbenzamide Traditional Name: N-(diaminomethylene)-2-ethyl-5-mesyl-4-(4-pyridylthio)benzamide Formula: C16H18N4O3S2 MolecularWeight: 378.46912

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)SC2=CC=NC=C2

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)SC2=CC=NC=C2

InChI

InChI=1S/C16H18N4O3S2/c1-3-10-8-13(24-11-4-6-19-7-5-11)14(25(2,22)23)9-12(10)15(21)20-16(17)18/h4-9H,3H2,1-2H3,(H4,17,18,20,21)