1-(4-methyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)-3-phenethyl-urea

Systemtic Name: 1-(4-methyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)-3-phenethyl-urea Openeye Name: 1-(4-methyl-5-thioxo-1,3,4-thiadiazol-2-yl)-3-phenethyl-urea CAS Name: 1-(4-methyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)-3-phenethylurea IUPAC Name: 1-(4-methyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)-3-phenethylurea Traditional Name: 1-(4-methyl-5-thioxo-1,3,4-thiadiazol-2-yl)-3-phenethyl-urea Formula: C12H14N4OS2 MolecularWeight: 294.39576

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=S)SC(=N1)NC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CN1C(=S)SC(=N1)NC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C12H14N4OS2/c1-16-12(18)19-11(15-16)14-10(17)13-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,13,14,15,17)