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

Systemtic Name: N-butyl-5-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-butyl-5-(4-morpholinosulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-butyl-5-[[4-(4-morpholinylsulfonyl)-2-nitrophenyl]thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-butyl-5-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: butyl-[5-[(4-morpholinosulfonyl-2-nitro-phenyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C16H21N5O5S3 MolecularWeight: 459.56344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O5S3/c1-2-3-6-17-15-18-19-16(28-15)27-14-5-4-12(11-13(14)21(22)23)29(24,25)20-7-9-26-10-8-20/h4-5,11H,2-3,6-10H2,1H3,(H,17,18)