[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)phenyl] thiocyanate

Systemtic Name: [4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)phenyl] thiocyanate Openeye Name: [4-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]amino]phenyl] ester IUPAC Name: [4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)phenyl] thiocyanate Traditional Name: thiocyanic acid [4-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)phenyl] ester Formula: C16H14N2OS2 MolecularWeight: 314.42516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)NC3=CC=C(C=C3)SC#N

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)NC3=CC=C(C=C3)SC#N

InChI

InChI=1S/C16H14N2OS2/c17-10-21-12-7-5-11(6-8-12)18-16(19)14-9-20-15-4-2-1-3-13(14)15/h5-9H,1-4H2,(H,18,19)