2-[4-[(2-chlorophenyl)amino]quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[4-[(2-chlorophenyl)amino]quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[4-(2-chloroanilino)quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-(2-chloroanilino)-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[4-(2-chloroanilino)quinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-(2-chloroanilino)quinazolin-2-yl]thio]acetonitrile Formula: C16H11ClN4S MolecularWeight: 326.80334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)SCC#N)NC3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)SCC#N)NC3=CC=CC=C3Cl

InChI

InChI=1S/C16H11ClN4S/c17-12-6-2-4-8-14(12)19-15-11-5-1-3-7-13(11)20-16(21-15)22-10-9-18/h1-8H,10H2,(H,19,20,21)