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

Systemtic Name: N-(2-methylpropyl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-isobutyl-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-(2-methylpropyl)-5-[2-(3-nitrophenoxy)ethylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(2-methylpropyl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: isobutyl-[5-[2-(3-nitrophenoxy)ethylthio]-1,3,4-thiadiazol-2-yl]amine Formula: C14H18N4O3S2 MolecularWeight: 354.44772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NN=C(S1)SCCOC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC1=NN=C(S1)SCCOC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O3S2/c1-10(2)9-15-13-16-17-14(23-13)22-7-6-21-12-5-3-4-11(8-12)18(19)20/h3-5,8,10H,6-7,9H2,1-2H3,(H,15,16)