5-[(4-nitrophenyl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(4-nitrophenyl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Openeye Name: N-allyl-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[(4-nitrophenyl)methylthio]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(4-nitrophenyl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Traditional Name: allyl-[5-[(4-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C12H12N4O2S2 MolecularWeight: 308.37928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(S1)SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCNC1=NN=C(S1)SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O2S2/c1-2-7-13-11-14-15-12(20-11)19-8-9-3-5-10(6-4-9)16(17)18/h2-6H,1,7-8H2,(H,13,14)