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

Systemtic Name: 1-[4-(6-chloranyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazin-1-yl]-5-ethylsulfanyl-4,6-dimethyl-2H-pyridine-3-carbonitrile Openeye Name: 1-[4-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazin-1-yl]-5-ethylsulfanyl-4,6-dimethyl-2H-pyridine-3-carbonitrile CAS Name: 1-[4-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-1-piperazinyl]-5-(ethylthio)-4,6-dimethyl-2H-pyridine-3-carbonitrile IUPAC Name: 1-[4-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazin-1-yl]-5-ethylsulfanyl-4,6-dimethyl-2H-pyridine-3-carbonitrile Traditional Name: 1-[4-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazino]-5-(ethylthio)-4,6-dimethyl-2H-pyridine-3-carbonitrile Formula: C22H28ClN5OS MolecularWeight: 446.00862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN5OS/c1-4-30-22-15(2)17(13-24)14-28(16(22)3)27-8-6-26(7-9-27)20-12-18(23)11-19-21(20)29-10-5-25-19/h11-12,25H,4-10,14H2,1-3H3