2-azanyl-6-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]thio]pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl]thio]dinicotinonitrile Formula: C19H17ClN6OS MolecularWeight: 412.89588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CSC3=C(C=C(C(=N3)N)C#N)C#N

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CSC3=C(C=C(C(=N3)N)C#N)C#N

InChI

InChI=1S/C19H17ClN6OS/c20-15-2-1-3-16(9-15)25-4-6-26(7-5-25)17(27)12-28-19-14(11-22)8-13(10-21)18(23)24-19/h1-3,8-9H,4-7,12H2,(H2,23,24)