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

Systemtic Name: N-methyl-5-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-methyl-5-(2-morpholinosulfonyl-4-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-methyl-5-[[2-(4-morpholinylsulfonyl)-4-nitrophenyl]thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-methyl-5-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: methyl-[5-[(2-morpholinosulfonyl-4-nitro-phenyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C13H15N5O5S3 MolecularWeight: 417.4837

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NN=C(S1)SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

CNC1=NN=C(S1)SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C13H15N5O5S3/c1-14-12-15-16-13(25-12)24-10-3-2-9(18(19)20)8-11(10)26(21,22)17-4-6-23-7-5-17/h2-3,8H,4-7H2,1H3,(H,14,15)