(2Z)-2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propyl]sulfanyl-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)ethanenitrile

Systemtic Name: (2Z)-2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propyl]sulfanyl-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)ethanenitrile Openeye Name: (2Z)-2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propyl]sulfanyl-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)acetonitrile CAS Name: (2Z)-2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]thio]-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)acetonitrile IUPAC Name: (2Z)-2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]sulfanyl-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)acetonitrile Traditional Name: (2Z)-2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propyl]thio]-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)acetonitrile Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCNC2=C(C#N)SCC(CN3CCC4=CC=CC=C4C3)O)OC

Isomeric SMILES

COC1=C(C=C\2C(=C1)CCN/C2=C(/C#N)\SCC(CN3CCC4=CC=CC=C4C3)O)OC

InChI

InChI=1S/C25H29N3O3S/c1-30-22-11-18-7-9-27-25(21(18)12-23(22)31-2)24(13-26)32-16-20(29)15-28-10-8-17-5-3-4-6-19(17)14-28/h3-6,11-12,20,27,29H,7-10,14-16H2,1-2H3/b25-24-