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

Systemtic Name: N-(2-methoxyethyl)-5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-(2-methoxyethyl)-5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-(2-methoxyethyl)-5-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(2-methoxyethyl)-5-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: 2-methoxyethyl-[5-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C15H19N5O5S3 MolecularWeight: 445.53686

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O5S3/c1-25-9-6-16-14-17-18-15(27-14)26-13-5-4-11(10-12(13)20(21)22)28(23,24)19-7-2-3-8-19/h4-5,10H,2-3,6-9H2,1H3,(H,16,17)