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

Systemtic Name: 2-azanyl-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-keto-2-[4-(2-methoxyphenyl)piperazino]ethyl]thio]dinicotinonitrile Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=C(C=C(C(=N3)N)C#N)C#N

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=C(C=C(C(=N3)N)C#N)C#N

InChI

InChI=1S/C20H20N6O2S/c1-28-17-5-3-2-4-16(17)25-6-8-26(9-7-25)18(27)13-29-20-15(12-22)10-14(11-21)19(23)24-20/h2-5,10H,6-9,13H2,1H3,(H2,23,24)