1-butyl-3-[3-(phenylmethylsulfanyl)-1,2,4-thiadiazol-5-yl]urea

Systemtic Name: 1-butyl-3-[3-(phenylmethylsulfanyl)-1,2,4-thiadiazol-5-yl]urea Openeye Name: 1-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-3-butyl-urea CAS Name: 1-butyl-3-[3-(phenylmethylthio)-1,2,4-thiadiazol-5-yl]urea IUPAC Name: 1-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-3-butylurea Traditional Name: 1-[3-(benzylthio)-1,2,4-thiadiazol-5-yl]-3-butyl-urea Formula: C14H18N4OS2 MolecularWeight: 322.44892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=NC(=NS1)SCC2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)NC1=NC(=NS1)SCC2=CC=CC=C2

InChI

InChI=1S/C14H18N4OS2/c1-2-3-9-15-12(19)16-13-17-14(18-21-13)20-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H2,15,16,17,18,19)