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

Systemtic Name: 5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-N-phenethyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-N-phenethyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-N-phenethyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-N-phenethyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]-1,3,4-thiadiazol-2-yl]-phenethyl-amine Formula: C16H14N4O3S2 MolecularWeight: 374.43736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NN=C(S2)SC=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NN=C(S2)S/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O3S2/c21-20(22)14-7-6-13(23-14)9-11-24-16-19-18-15(25-16)17-10-8-12-4-2-1-3-5-12/h1-7,9,11H,8,10H2,(H,17,18)/b11-9+