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

Systemtic Name: 5-[1-(3-nitrophenyl)ethylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Openeye Name: N-allyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[1-(3-nitrophenyl)ethylthio]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[1-(3-nitrophenyl)ethylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Traditional Name: allyl-[5-[1-(3-nitrophenyl)ethylthio]-1,3,4-thiadiazol-2-yl]amine Formula: C13H14N4O2S2 MolecularWeight: 322.40586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(S2)NCC=C

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(S2)NCC=C

InChI

InChI=1S/C13H14N4O2S2/c1-3-7-14-12-15-16-13(21-12)20-9(2)10-5-4-6-11(8-10)17(18)19/h3-6,8-9H,1,7H2,2H3,(H,14,15)