(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl) N,N-dimethylcarbamodithioate

Systemtic Name: (2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl) N,N-dimethylcarbamodithioate Openeye Name: (2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl) N,N-dimethylcarbamodithioate CAS Name: N,N-dimethylcarbamodithioic acid [2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl] ester IUPAC Name: (2-nitro-4-pyrrolidin-1-ylsulfonylphenyl) N,N-dimethylcarbamodithioate Traditional Name: N,N-dimethylcarbamodithioic acid (2-nitro-4-pyrrolidinosulfonyl-phenyl) ester Formula: C13H17N3O4S3 MolecularWeight: 375.48678

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)SC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=S)SC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O4S3/c1-14(2)13(21)22-12-6-5-10(9-11(12)16(17)18)23(19,20)15-7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3