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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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