1-(4-cyano-3-sulfanylidene-cyclohexa-1,5-dien-1-yl)sulfonyl-3-(4-methoxy-6-methyl-pyrimidin-2-yl)urea

Systemtic Name: 1-(4-cyano-3-sulfanylidene-cyclohexa-1,5-dien-1-yl)sulfonyl-3-(4-methoxy-6-methyl-pyrimidin-2-yl)urea Openeye Name: 1-(4-cyano-3-thioxo-cyclohexa-1,5-dien-1-yl)sulfonyl-3-(4-methoxy-6-methyl-pyrimidin-2-yl)urea CAS Name: 1-[(4-cyano-3-sulfanylidene-1-cyclohexa-1,5-dienyl)sulfonyl]-3-(4-methoxy-6-methyl-2-pyrimidinyl)urea IUPAC Name: 1-(4-cyano-3-sulfanylidenecyclohexa-1,5-dien-1-yl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea Traditional Name: 1-(4-cyano-3-thioxo-cyclohexa-1,5-dien-1-yl)sulfonyl-3-(4-methoxy-6-methyl-pyrimidin-2-yl)urea Formula: C14H13N5O4S2 MolecularWeight: 379.41412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC(=S)C(C=C2)C#N)OC

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC(=S)C(C=C2)C#N)OC

InChI

InChI=1S/C14H13N5O4S2/c1-8-5-12(23-2)17-13(16-8)18-14(20)19-25(21,22)10-4-3-9(7-15)11(24)6-10/h3-6,9H,1-2H3,(H2,16,17,18,19,20)