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

Systemtic Name: 2-azanyl-6-(3-chlorophenyl)sulfanyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-(3-chlorophenyl)sulfanyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-[(3-chlorophenyl)thio]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(3-chlorophenyl)sulfanyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-[(3-chlorophenyl)thio]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)dinicotinonitrile Formula: C21H13ClN4O2S MolecularWeight: 420.87152

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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)Cl)N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H13ClN4O2S/c22-13-2-1-3-14(9-13)29-21-16(11-24)19(15(10-23)20(25)26-21)12-4-5-17-18(8-12)28-7-6-27-17/h1-5,8-9H,6-7H2,(H2,25,26)