5-[4-(6-chloranyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazin-1-yl]-4-ethylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 5-[4-(6-chloranyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazin-1-yl]-4-ethylsulfanyl-pyridine-3-carbonitrile Openeye Name: 5-[4-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazin-1-yl]-4-ethylsulfanyl-pyridine-3-carbonitrile CAS Name: 5-[4-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-1-piperazinyl]-4-(ethylthio)-3-pyridinecarbonitrile IUPAC Name: 5-[4-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazin-1-yl]-4-ethylsulfanylpyridine-3-carbonitrile Traditional Name: 5-[4-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazino]-4-(ethylthio)nicotinonitrile Formula: C20H22ClN5OS MolecularWeight: 415.93958

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=NC=C1C#N)N2CCN(CC2)C3=C4C(=CC(=C3)Cl)NCCO4

Isomeric SMILES

CCSC1=C(C=NC=C1C#N)N2CCN(CC2)C3=C4C(=CC(=C3)Cl)NCCO4

InChI

InChI=1S/C20H22ClN5OS/c1-2-28-20-14(11-22)12-23-13-18(20)26-6-4-25(5-7-26)17-10-15(21)9-16-19(17)27-8-3-24-16/h9-10,12-13,24H,2-8H2,1H3