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

Systemtic Name: N-[bis(azanyl)methylidene]-2-ethyl-5-methylsulfonyl-4-pyrimidin-2-ylsulfanyl-benzamide Openeye Name: N-(diaminomethylene)-2-ethyl-5-methylsulfonyl-4-pyrimidin-2-ylsulfanyl-benzamide CAS Name: N-(diaminomethylidene)-2-ethyl-5-methylsulfonyl-4-(2-pyrimidinylthio)benzamide IUPAC Name: N-(diaminomethylidene)-2-ethyl-5-methylsulfonyl-4-pyrimidin-2-ylsulfanylbenzamide Traditional Name: N-(diaminomethylene)-2-ethyl-5-mesyl-4-(2-pyrimidylthio)benzamide Formula: C15H17N5O3S2 MolecularWeight: 379.45718

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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=NC=CC=N2

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)SC2=NC=CC=N2

InChI

InChI=1S/C15H17N5O3S2/c1-3-9-7-11(24-15-18-5-4-6-19-15)12(25(2,22)23)8-10(9)13(21)20-14(16)17/h4-8H,3H2,1-2H3,(H4,16,17,20,21)