[4-(2-bromoethyl)phenyl]methyl (1E)-N-bis(methylsulfanyl)phosphorylethanimidothioate

Systemtic Name: [4-(2-bromoethyl)phenyl]methyl (1E)-N-bis(methylsulfanyl)phosphorylethanimidothioate Openeye Name: [4-(2-bromoethyl)phenyl]methyl (1E)-N-bis(methylsulfanyl)phosphorylethanimidothioate CAS Name: (1E)-N-bis(methylthio)phosphorylethanimidothioic acid [4-(2-bromoethyl)phenyl]methyl ester IUPAC Name: [4-(2-bromoethyl)phenyl]methyl (1E)-N-bis(methylsulfanyl)phosphorylethanimidothioate Traditional Name: (1E)-N-bis(methylthio)phosphorylthioacetimidic acid [4-(2-bromoethyl)benzyl] ester Formula: C13H19BrNOPS3 MolecularWeight: 412.368821

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NP(=O)(SC)SC)SCC1=CC=C(C=C1)CCBr

Isomeric SMILES

C/C(=N\P(=O)(SC)SC)/SCC1=CC=C(C=C1)CCBr

InChI

InChI=1S/C13H19BrNOPS3/c1-11(15-17(16,18-2)19-3)20-10-13-6-4-12(5-7-13)8-9-14/h4-7H,8-10H2,1-3H3/b15-11+