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

Systemtic Name: 4-thiocyanatobut-2-ynyl N-(4-methylphenyl)carbamate Openeye Name: 4-thiocyanatobut-2-ynyl N-(p-tolyl)carbamate CAS Name: N-(4-methylphenyl)carbamic acid 4-thiocyanatobut-2-ynyl ester IUPAC Name: 4-thiocyanatobut-2-ynyl N-(4-methylphenyl)carbamate Traditional Name: N-(p-tolyl)carbamic acid 4-thiocyanatobut-2-ynyl ester Formula: C13H12N2O2S MolecularWeight: 260.31158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)OCC#CCSC#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)OCC#CCSC#N

InChI

InChI=1S/C13H12N2O2S/c1-11-4-6-12(7-5-11)15-13(16)17-8-2-3-9-18-10-14/h4-7H,8-9H2,1H3,(H,15,16)