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

Systemtic Name: N-butyl-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-butyl-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-butyl-5-[(4-methylsulfonyl-2-nitrophenyl)thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-butyl-5-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: butyl-[5-[(4-mesyl-2-nitro-phenyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C13H16N4O4S3 MolecularWeight: 388.48554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O4S3/c1-3-4-7-14-12-15-16-13(23-12)22-11-6-5-9(24(2,20)21)8-10(11)17(18)19/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)