N-butyl-5-(2-chloranyl-4-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine

Systemtic Name: N-butyl-5-(2-chloranyl-4-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-butyl-5-(2-chloro-4-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-butyl-5-[(2-chloro-4-nitrophenyl)thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-butyl-5-(2-chloro-4-nitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: butyl-[5-[(2-chloro-4-nitro-phenyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C12H13ClN4O2S2 MolecularWeight: 344.84022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H13ClN4O2S2/c1-2-3-6-14-11-15-16-12(21-11)20-10-5-4-8(17(18)19)7-9(10)13/h4-5,7H,2-3,6H2,1H3,(H,14,15)