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

Systemtic Name: N-(3-fluorophenyl)-5-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-(3-fluorophenyl)-5-(2-morpholinosulfonyl-4-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-(3-fluorophenyl)-5-[[2-(4-morpholinylsulfonyl)-4-nitrophenyl]thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(3-fluorophenyl)-5-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: (3-fluorophenyl)-[5-[(2-morpholinosulfonyl-4-nitro-phenyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C18H16FN5O5S3 MolecularWeight: 497.543543

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=C(S3)NC4=CC(=CC=C4)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=C(S3)NC4=CC(=CC=C4)F

InChI

InChI=1S/C18H16FN5O5S3/c19-12-2-1-3-13(10-12)20-17-21-22-18(31-17)30-15-5-4-14(24(25)26)11-16(15)32(27,28)23-6-8-29-9-7-23/h1-5,10-11H,6-9H2,(H,20,21)