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

Systemtic Name: 5-[(3-nitrophenyl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine Openeye Name: N-isopropyl-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[(3-nitrophenyl)methylthio]-N-propan-2-yl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(3-nitrophenyl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine Traditional Name: isopropyl-[5-[(3-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C12H14N4O2S2 MolecularWeight: 310.39516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NN=C(S1)SCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=NN=C(S1)SCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O2S2/c1-8(2)13-11-14-15-12(20-11)19-7-9-4-3-5-10(6-9)16(17)18/h3-6,8H,7H2,1-2H3,(H,13,14)