2-sulfanylidene-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)quinazolin-4-olate

Systemtic Name: 2-sulfanylidene-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)quinazolin-4-olate Openeye Name: 3-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)-2-thioxo-quinazolin-4-olate CAS Name: 3-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]amino]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 2-sulfanylidene-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)quinazolin-4-olate Traditional Name: 3-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)-2-thioxo-quinazolin-4-olate Formula: C17H14N3O2S2- MolecularWeight: 356.44196

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)NN3C(=C4C=CC=CC4=NC3=S)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)NN3C(=C4C=CC=CC4=NC3=S)[O-]

InChI

InChI=1S/C17H15N3O2S2/c21-15(12-9-24-14-8-4-2-5-10(12)14)19-20-16(22)11-6-1-3-7-13(11)18-17(20)23/h1,3,6-7,9,22H,2,4-5,8H2,(H,19,21)/p-1