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

Systemtic Name: 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-(5-pyrrol-1-yl-6-sulfanylidene-cyclohexa-1,3-dien-1-yl)sulfonyl-urea Openeye Name: 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-(5-pyrrol-1-yl-6-thioxo-cyclohexa-1,3-dien-1-yl)sulfonyl-urea CAS Name: 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[[5-(1-pyrrolyl)-6-sulfanylidene-1-cyclohexa-1,3-dienyl]sulfonyl]urea IUPAC Name: 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-(5-pyrrol-1-yl-6-sulfanylidenecyclohexa-1,3-dien-1-yl)sulfonylurea Traditional Name: 1-(4-methoxy-6-methyl-s-triazin-2-yl)-3-(5-pyrrol-1-yl-6-thioxo-cyclohexa-1,3-dien-1-yl)sulfonyl-urea Formula: C16H16N6O4S2 MolecularWeight: 420.46604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC(C2=S)N3C=CC=C3

Isomeric SMILES

CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC(C2=S)N3C=CC=C3

InChI

InChI=1S/C16H16N6O4S2/c1-10-17-14(20-16(18-10)26-2)19-15(23)21-28(24,25)12-7-5-6-11(13(12)27)22-8-3-4-9-22/h3-9,11H,1-2H3,(H2,17,18,19,20,21,23)