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

Systemtic Name: 2-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-[(4-chlorophenyl)methylamino]-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-[(4-chlorobenzyl)amino]quinazolin-2-yl]thio]acetonitrile Formula: C17H13ClN4S MolecularWeight: 340.82992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)SCC#N)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)SCC#N)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H13ClN4S/c18-13-7-5-12(6-8-13)11-20-16-14-3-1-2-4-15(14)21-17(22-16)23-10-9-19/h1-8H,10-11H2,(H,20,21,22)