[4-(2-butylsulfanylethanoylamino)phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-(2-butylsulfanylethanoylamino)phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[(2-butylsulfanylacetyl)amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[2-(butylthio)-1-oxoethyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[(2-butylsulfanylacetyl)amino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[[2-(butylthio)acetyl]amino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C16H19N4O3S2- MolecularWeight: 379.47706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)NC1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC=CC=N2

Isomeric SMILES

CCCCSCC(=O)NC1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC=CC=N2

InChI

InChI=1S/C16H20N4O3S2/c1-2-3-11-24-12-15(21)19-13-5-7-14(8-6-13)25(22,23)20-16-17-9-4-10-18-16/h4-10H,2-3,11-12H2,1H3,(H2,17,18,19,20,21)/p-1