2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-(1,3-benzodioxol-5-ylamino)-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]thio]acetonitrile Formula: C17H12N4O2S MolecularWeight: 336.36778

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)SCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)SCC#N

InChI

InChI=1S/C17H12N4O2S/c18-7-8-24-17-20-13-4-2-1-3-12(13)16(21-17)19-11-5-6-14-15(9-11)23-10-22-14/h1-6,9H,8,10H2,(H,19,20,21)