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

Systemtic Name: N-ethyl-5-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-ethyl-5-(2-morpholinosulfonyl-4-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-ethyl-5-[[2-(4-morpholinylsulfonyl)-4-nitrophenyl]thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-ethyl-5-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: ethyl-[5-[(2-morpholinosulfonyl-4-nitro-phenyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C14H17N5O5S3 MolecularWeight: 431.51028

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NN=C(S1)SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCNC1=NN=C(S1)SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C14H17N5O5S3/c1-2-15-13-16-17-14(26-13)25-11-4-3-10(19(20)21)9-12(11)27(22,23)18-5-7-24-8-6-18/h3-4,9H,2,5-8H2,1H3,(H,15,16)