2-azanyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-phenylsulfanyl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-phenylsulfanyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-phenylsulfanyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(phenylthio)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(phenylthio)dinicotinonitrile Formula: C21H14N4O2S MolecularWeight: 386.42646

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=C(C(=NC(=C3C#N)SC4=CC=CC=C4)N)C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=C(C(=NC(=C3C#N)SC4=CC=CC=C4)N)C#N

InChI

InChI=1S/C21H14N4O2S/c22-11-15-19(13-6-7-17-18(10-13)27-9-8-26-17)16(12-23)21(25-20(15)24)28-14-4-2-1-3-5-14/h1-7,10H,8-9H2,(H2,24,25)