1-[4-[5-(1-oxidanyl-6-sulfanyl-2H-pyridin-5-yl)furan-2-yl]but-3-yn-2-yl]urea

Systemtic Name: 1-[4-[5-(1-oxidanyl-6-sulfanyl-2H-pyridin-5-yl)furan-2-yl]but-3-yn-2-yl]urea Openeye Name: [3-[5-(1-hydroxy-6-sulfanyl-2H-pyridin-5-yl)-2-furyl]-1-methyl-prop-2-ynyl]urea CAS Name: 4-[5-(1-hydroxy-6-mercapto-2H-pyridin-5-yl)-2-furanyl]but-3-yn-2-ylurea IUPAC Name: 4-[5-(1-hydroxy-6-sulfanyl-2H-pyridin-5-yl)furan-2-yl]but-3-yn-2-ylurea Traditional Name: [3-[5-(1-hydroxy-6-mercapto-2H-pyridin-5-yl)-2-furyl]-1-methyl-prop-2-ynyl]urea Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC=C(O1)C2=C(N(CC=C2)O)S)NC(=O)N

Isomeric SMILES

CC(C#CC1=CC=C(O1)C2=C(N(CC=C2)O)S)NC(=O)N

InChI

InChI=1S/C14H15N3O3S/c1-9(16-14(15)18)4-5-10-6-7-12(20-10)11-3-2-8-17(19)13(11)21/h2-3,6-7,9,19,21H,8H2,1H3,(H3,15,16,18)