methyl 4-[(2-nitrophenyl)methyl]piperazine-1-carbodithioate hydrochloride

Systemtic Name: methyl 4-[(2-nitrophenyl)methyl]piperazine-1-carbodithioate hydrochloride Openeye Name: methyl 4-[(2-nitrophenyl)methyl]piperazine-1-carbodithioate hydrochloride CAS Name: 4-[(2-nitrophenyl)methyl]-1-piperazinecarbodithioic acid methyl ester hydrochloride IUPAC Name: methyl 4-[(2-nitrophenyl)methyl]piperazine-1-carbodithioate hydrochloride Traditional Name: 4-(2-nitrobenzyl)piperazine-1-carbodithioic acid methyl ester hydrochloride Formula: C13H18ClN3O2S2 MolecularWeight: 347.88392

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=S)N1CCN(CC1)CC2=CC=CC=C2[N+](=O)[O-].Cl

Isomeric SMILES

CSC(=S)N1CCN(CC1)CC2=CC=CC=C2[N+](=O)[O-].Cl

InChI

InChI=1S/C13H17N3O2S2.ClH/c1-20-13(19)15-8-6-14(7-9-15)10-11-4-2-3-5-12(11)16(17)18;/h2-5H,6-10H2,1H3;1H