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

Systemtic Name: 1-(4-chloranyl-6-methoxy-pyrimidin-2-yl)-3-(5-pyrrol-1-yl-6-sulfanylidene-cyclohexa-1,3-dien-1-yl)sulfonyl-urea Openeye Name: 1-(4-chloro-6-methoxy-pyrimidin-2-yl)-3-(5-pyrrol-1-yl-6-thioxo-cyclohexa-1,3-dien-1-yl)sulfonyl-urea CAS Name: 1-(4-chloro-6-methoxy-2-pyrimidinyl)-3-[[5-(1-pyrrolyl)-6-sulfanylidene-1-cyclohexa-1,3-dienyl]sulfonyl]urea IUPAC Name: 1-(4-chloro-6-methoxypyrimidin-2-yl)-3-(5-pyrrol-1-yl-6-sulfanylidenecyclohexa-1,3-dien-1-yl)sulfonylurea Traditional Name: 1-(4-chloro-6-methoxy-pyrimidin-2-yl)-3-(5-pyrrol-1-yl-6-thioxo-cyclohexa-1,3-dien-1-yl)sulfonyl-urea Formula: C16H14ClN5O4S2 MolecularWeight: 439.89646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC(C2=S)N3C=CC=C3)Cl

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC(C2=S)N3C=CC=C3)Cl

InChI

InChI=1S/C16H14ClN5O4S2/c1-26-13-9-12(17)18-15(19-13)20-16(23)21-28(24,25)11-6-4-5-10(14(11)27)22-7-2-3-8-22/h2-10H,1H3,(H2,18,19,20,21,23)