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

Systemtic Name: N-[(4-fluorophenyl)methyl]-5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-[(4-fluorophenyl)methyl]-5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-[(4-fluorophenyl)methyl]-5-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-[(4-fluorophenyl)methyl]-5-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: (4-fluorobenzyl)-[5-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C19H18FN5O4S3 MolecularWeight: 495.570723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)NCC4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)NCC4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C19H18FN5O4S3/c20-14-5-3-13(4-6-14)12-21-18-22-23-19(31-18)30-17-8-7-15(11-16(17)25(26)27)32(28,29)24-9-1-2-10-24/h3-8,11H,1-2,9-10,12H2,(H,21,22)