[2-(3-bromophenyl)-2-oxidanylidene-ethyl] N-cyano-N'-methyl-carbamimidothioate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] N-cyano-N'-methyl-carbamimidothioate Openeye Name: 2-[2-(3-bromophenyl)-2-oxo-ethyl]-1-cyano-3-methyl-isothiourea CAS Name: N-cyano-N'-methylcarbamimidothioic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] N-cyano-N'-methylcarbamimidothioate Traditional Name: 2-[2-(3-bromophenyl)-2-keto-ethyl]-1-cyano-3-methyl-isothiourea Formula: C11H10BrN3OS MolecularWeight: 312.1856

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC#N)SCC(=O)C1=CC(=CC=C1)Br

Isomeric SMILES

CN=C(NC#N)SCC(=O)C1=CC(=CC=C1)Br

InChI

InChI=1S/C11H10BrN3OS/c1-14-11(15-7-13)17-6-10(16)8-3-2-4-9(12)5-8/h2-5H,6H2,1H3,(H,14,15)