[4,5-bis(azanyl)-2-butyl-phenyl] thiocyanate

Systemtic Name: [4,5-bis(azanyl)-2-butyl-phenyl] thiocyanate Openeye Name: (4,5-diamino-2-butyl-phenyl) thiocyanate CAS Name: thiocyanic acid (4,5-diamino-2-butylphenyl) ester IUPAC Name: (4,5-diamino-2-butylphenyl) thiocyanate Traditional Name: thiocyanic acid (4,5-diamino-2-butyl-phenyl) ester Formula: C11H15N3S MolecularWeight: 221.3219

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1SC#N)N)N

Isomeric SMILES

CCCCC1=CC(=C(C=C1SC#N)N)N

InChI

InChI=1S/C11H15N3S/c1-2-3-4-8-5-9(13)10(14)6-11(8)15-7-12/h5-6H,2-4,13-14H2,1H3