1-butyl-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea

Systemtic Name: 1-butyl-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea Openeye Name: 1-butyl-3-[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-butyl-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea IUPAC Name: 1-butyl-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea Traditional Name: 1-butyl-3-[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]urea Formula: C12H15N5OS MolecularWeight: 277.3454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=NN=C(S1)C2=CC=NC=C2

Isomeric SMILES

CCCCNC(=O)NC1=NN=C(S1)C2=CC=NC=C2

InChI

InChI=1S/C12H15N5OS/c1-2-3-6-14-11(18)15-12-17-16-10(19-12)9-4-7-13-8-5-9/h4-5,7-8H,2-3,6H2,1H3,(H2,14,15,17,18)