[4-[(6-ethylquinazolin-4-yl)amino]phenyl] thiocyanate

Systemtic Name: [4-[(6-ethylquinazolin-4-yl)amino]phenyl] thiocyanate Openeye Name: [4-[(6-ethylquinazolin-4-yl)amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[(6-ethyl-4-quinazolinyl)amino]phenyl] ester IUPAC Name: [4-[(6-ethylquinazolin-4-yl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(6-ethylquinazolin-4-yl)amino]phenyl] ester Formula: C17H14N4S MolecularWeight: 306.38486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)SC#N

Isomeric SMILES

CCC1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)SC#N

InChI

InChI=1S/C17H14N4S/c1-2-12-3-8-16-15(9-12)17(20-11-19-16)21-13-4-6-14(7-5-13)22-10-18/h3-9,11H,2H2,1H3,(H,19,20,21)