N-[(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl]-N-[(3-nitrophenyl)methyl]ethanamine

Systemtic Name: N-[(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl]-N-[(3-nitrophenyl)methyl]ethanamine Openeye Name: N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(3-nitrophenyl)methyl]ethanamine CAS Name: N-[(5-chloro-4-thiadiazolyl)methyl]-N-[(3-nitrophenyl)methyl]ethanamine IUPAC Name: N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(3-nitrophenyl)methyl]ethanamine Traditional Name: (5-chlorothiadiazol-4-yl)methyl-ethyl-(3-nitrobenzyl)amine Formula: C12H13ClN4O2S MolecularWeight: 312.77522

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)[N+](=O)[O-])CC2=C(SN=N2)Cl

Isomeric SMILES

CCN(CC1=CC(=CC=C1)[N+](=O)[O-])CC2=C(SN=N2)Cl

InChI

InChI=1S/C12H13ClN4O2S/c1-2-16(8-11-12(13)20-15-14-11)7-9-4-3-5-10(6-9)17(18)19/h3-6H,2,7-8H2,1H3