5-(2,4-dinitrophenyl)sulfanyl-N-(3-ethoxypropyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-(2,4-dinitrophenyl)sulfanyl-N-(3-ethoxypropyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-(2,4-dinitrophenyl)sulfanyl-N-(3-ethoxypropyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[(2,4-dinitrophenyl)thio]-N-(3-ethoxypropyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(2,4-dinitrophenyl)sulfanyl-N-(3-ethoxypropyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(2,4-dinitrophenyl)thio]-1,3,4-thiadiazol-2-yl]-(3-ethoxypropyl)amine Formula: C13H15N5O5S2 MolecularWeight: 385.4187

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O5S2/c1-2-23-7-3-6-14-12-15-16-13(25-12)24-11-5-4-9(17(19)20)8-10(11)18(21)22/h4-5,8H,2-3,6-7H2,1H3,(H,14,15)