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

Systemtic Name: N-[(4-methoxyphenyl)methyl]-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-[(4-methoxyphenyl)methyl]-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-[(4-methoxyphenyl)methyl]-5-[2-(3-nitrophenoxy)ethylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-[(4-methoxyphenyl)methyl]-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: [5-[2-(3-nitrophenoxy)ethylthio]-1,3,4-thiadiazol-2-yl]-p-anisyl-amine Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NN=C(S2)SCCOC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NN=C(S2)SCCOC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S2/c1-25-15-7-5-13(6-8-15)12-19-17-20-21-18(28-17)27-10-9-26-16-4-2-3-14(11-16)22(23)24/h2-8,11H,9-10,12H2,1H3,(H,19,20)