4-bromanylbutyl N'-[(E)-pyridin-3-ylmethylideneamino]carbamimidothioate

Systemtic Name: 4-bromanylbutyl N'-[(E)-pyridin-3-ylmethylideneamino]carbamimidothioate Openeye Name: 2-(4-bromobutyl)-3-[(E)-3-pyridylmethyleneamino]isothiourea CAS Name: N'-[(E)-3-pyridinylmethylideneamino]carbamimidothioic acid 4-bromobutyl ester IUPAC Name: 4-bromobutyl N'-[(E)-pyridin-3-ylmethylideneamino]carbamimidothioate Traditional Name: 2-(4-bromobutyl)-3-[(E)-3-pyridylmethyleneamino]isothiourea Formula: C11H15BrN4S MolecularWeight: 315.2326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C=NN=C(N)SCCCCBr

Isomeric SMILES

C1=CC(=CN=C1)/C=N/N=C(\N)/SCCCCBr

InChI

InChI=1S/C11H15BrN4S/c12-5-1-2-7-17-11(13)16-15-9-10-4-3-6-14-8-10/h3-4,6,8-9H,1-2,5,7H2,(H2,13,16)/b15-9+