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

Systemtic Name: N-cyclohexyl-5-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-cyclohexyl-5-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-cyclohexyl-5-[[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-cyclohexyl-5-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: cyclohexyl-[5-[(4-nitro-2-pyrrolidinosulfonyl-phenyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C18H23N5O4S3 MolecularWeight: 469.60132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NN=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCCC4

Isomeric SMILES

C1CCC(CC1)NC2=NN=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCCC4

InChI

InChI=1S/C18H23N5O4S3/c24-23(25)14-8-9-15(16(12-14)30(26,27)22-10-4-5-11-22)28-18-21-20-17(29-18)19-13-6-2-1-3-7-13/h8-9,12-13H,1-7,10-11H2,(H,19,20)