[3-methyl-4-(propanoylamino)phenyl] thiocyanate

Systemtic Name: [3-methyl-4-(propanoylamino)phenyl] thiocyanate Openeye Name: [3-methyl-4-(propanoylamino)phenyl] thiocyanate CAS Name: thiocyanic acid [3-methyl-4-(1-oxopropylamino)phenyl] ester IUPAC Name: [3-methyl-4-(propanoylamino)phenyl] thiocyanate Traditional Name: thiocyanic acid (3-methyl-4-propionamido-phenyl) ester Formula: C11H12N2OS MolecularWeight: 220.29078

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)SC#N)C

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)SC#N)C

InChI

InChI=1S/C11H12N2OS/c1-3-11(14)13-10-5-4-9(15-7-12)6-8(10)2/h4-6H,3H2,1-2H3,(H,13,14)