N-butyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,3,4-thiadiazol-2-amine

Systemtic Name: N-butyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-butyl-5-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-butyl-5-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-butyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: butyl-[5-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]-1,3,4-thiadiazol-2-yl]amine Formula: C12H14N4O3S2 MolecularWeight: 326.39456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SC=CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=NN=C(S1)S/C=C/C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O3S2/c1-2-3-7-13-11-14-15-12(21-11)20-8-6-9-4-5-10(19-9)16(17)18/h4-6,8H,2-3,7H2,1H3,(H,13,14)/b8-6+