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

Systemtic Name: N-(4-fluorophenyl)-5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-(4-fluorophenyl)-5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-(4-fluorophenyl)-5-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(4-fluorophenyl)-5-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: (4-fluorophenyl)-[5-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C18H16FN5O4S3 MolecularWeight: 481.544143

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)NC4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)NC4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C18H16FN5O4S3/c19-12-3-5-13(6-4-12)20-17-21-22-18(30-17)29-16-8-7-14(11-15(16)24(25)26)31(27,28)23-9-1-2-10-23/h3-8,11H,1-2,9-10H2,(H,20,21)