(4-nitrophenyl)methyl N-(4-methylsulfinylbutyl)carbamodithioate

Systemtic Name: (4-nitrophenyl)methyl N-(4-methylsulfinylbutyl)carbamodithioate Openeye Name: (4-nitrophenyl)methyl N-(4-methylsulfinylbutyl)carbamodithioate CAS Name: N-(4-methylsulfinylbutyl)carbamodithioic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-(4-methylsulfinylbutyl)carbamodithioate Traditional Name: N-(4-methylsulfinylbutyl)carbamodithioic acid (4-nitrobenzyl) ester Formula: C13H18N2O3S3 MolecularWeight: 346.48862

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CCCCNC(=S)SCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CS(=O)CCCCNC(=S)SCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O3S3/c1-21(18)9-3-2-8-14-13(19)20-10-11-4-6-12(7-5-11)15(16)17/h4-7H,2-3,8-10H2,1H3,(H,14,19)