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

Systemtic Name: (2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl) N,N-diethylcarbamodithioate Openeye Name: (2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl) N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl] ester IUPAC Name: (2-nitro-4-pyrrolidin-1-ylsulfonylphenyl) N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid (2-nitro-4-pyrrolidinosulfonyl-phenyl) ester Formula: C15H21N3O4S3 MolecularWeight: 403.53994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O4S3/c1-3-16(4-2)15(23)24-14-8-7-12(11-13(14)18(19)20)25(21,22)17-9-5-6-10-17/h7-8,11H,3-6,9-10H2,1-2H3