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

Systemtic Name: N-(2-methylpropyl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-isobutyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-(2-methylpropyl)-5-[1-(3-nitrophenyl)ethylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(2-methylpropyl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: isobutyl-[5-[1-(3-nitrophenyl)ethylthio]-1,3,4-thiadiazol-2-yl]amine Formula: C14H18N4O2S2 MolecularWeight: 338.44832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NN=C(S1)SC(C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC1=NN=C(S1)SC(C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O2S2/c1-9(2)8-15-13-16-17-14(22-13)21-10(3)11-5-4-6-12(7-11)18(19)20/h4-7,9-10H,8H2,1-3H3,(H,15,16)