1-morpholin-4-yl-3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-morpholin-4-yl-3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-morpholino-3-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-(4-morpholinyl)-3-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-morpholin-4-yl-3-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-1-morpholino-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C22H22N4O4S/c23-13-19-17-6-1-2-7-18(17)21(25-8-10-30-11-9-25)24-22(19)31-14-20(27)15-4-3-5-16(12-15)26(28)29/h3-5,12H,1-2,6-11,14H2