N-(2-methylpropyl)-5-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

Systemtic Name: N-(2-methylpropyl)-5-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-isobutyl-5-[(5-phenylisoxazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-(2-methylpropyl)-5-[(5-phenyl-3-isoxazolyl)methylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(2-methylpropyl)-5-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: isobutyl-[5-[(5-phenylisoxazol-3-yl)methylthio]-1,3,4-thiadiazol-2-yl]amine Formula: C16H18N4OS2 MolecularWeight: 346.47032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NN=C(S1)SCC2=NOC(=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CNC1=NN=C(S1)SCC2=NOC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H18N4OS2/c1-11(2)9-17-15-18-19-16(23-15)22-10-13-8-14(21-20-13)12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H,17,18)