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

Systemtic Name: N-butyl-5-(2,4-dinitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-butyl-5-(2,4-dinitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-butyl-5-[(2,4-dinitrophenyl)thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-butyl-5-(2,4-dinitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: butyl-[5-[(2,4-dinitrophenyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C12H13N5O4S2 MolecularWeight: 355.39272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O4S2/c1-2-3-6-13-11-14-15-12(23-11)22-10-5-4-8(16(18)19)7-9(10)17(20)21/h4-5,7H,2-3,6H2,1H3,(H,13,14)