1-[5-(3-methylbutylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-thiophen-2-yl-urea

Systemtic Name: 1-[5-(3-methylbutylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-thiophen-2-yl-urea Openeye Name: 1-(5-isopentylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-thienyl)urea CAS Name: 1-[5-(3-methylbutylthio)-1,3,4-thiadiazol-2-yl]-3-thiophen-2-ylurea IUPAC Name: 1-[5-(3-methylbutylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-thiophen-2-ylurea Traditional Name: 1-[5-(isoamylthio)-1,3,4-thiadiazol-2-yl]-3-(2-thienyl)urea Formula: C12H16N4OS3 MolecularWeight: 328.47664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NN=C(S1)NC(=O)NC2=CC=CS2

Isomeric SMILES

CC(C)CCSC1=NN=C(S1)NC(=O)NC2=CC=CS2

InChI

InChI=1S/C12H16N4OS3/c1-8(2)5-7-19-12-16-15-11(20-12)14-10(17)13-9-4-3-6-18-9/h3-4,6,8H,5,7H2,1-2H3,(H2,13,14,15,17)