4-thiocyanatobut-2-ynyl N-(4-bromophenyl)carbamate

Systemtic Name: 4-thiocyanatobut-2-ynyl N-(4-bromophenyl)carbamate Openeye Name: 4-thiocyanatobut-2-ynyl N-(4-bromophenyl)carbamate CAS Name: N-(4-bromophenyl)carbamic acid 4-thiocyanatobut-2-ynyl ester IUPAC Name: 4-thiocyanatobut-2-ynyl N-(4-bromophenyl)carbamate Traditional Name: N-(4-bromophenyl)carbamic acid 4-thiocyanatobut-2-ynyl ester Formula: C12H9BrN2O2S MolecularWeight: 325.18106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)OCC#CCSC#N)Br

Isomeric SMILES

C1=CC(=CC=C1NC(=O)OCC#CCSC#N)Br

InChI

InChI=1S/C12H9BrN2O2S/c13-10-3-5-11(6-4-10)15-12(16)17-7-1-2-8-18-9-14/h3-6H,7-8H2,(H,15,16)