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

Systemtic Name: N-(2-ethoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-(2-ethoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-(2-ethoxyphenyl)-5-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(2-ethoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(4-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]-o-phenetyl-amine Formula: C17H16N4O3S2 MolecularWeight: 388.46394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=NN=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC2=NN=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O3S2/c1-2-24-15-6-4-3-5-14(15)18-16-19-20-17(26-16)25-11-12-7-9-13(10-8-12)21(22)23/h3-10H,2,11H2,1H3,(H,18,19)