3,5-bis[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl]-1,2-thiazole-4-carbonitrile

Systemtic Name: 3,5-bis[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl]-1,2-thiazole-4-carbonitrile Openeye Name: 3,5-bis[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl]isothiazole-4-carbonitrile CAS Name: 3,5-bis[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-4-isothiazolecarbonitrile IUPAC Name: 3,5-bis[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl]-1,2-thiazole-4-carbonitrile Traditional Name: 3,5-bis[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]isothiazole-4-carbonitrile Formula: C26H24N4O2S3 MolecularWeight: 520.68936

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=C(C(=NS3)SCC(=O)N4CCC5=CC=CC=C5C4)C#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=C(C(=NS3)SCC(=O)N4CCC5=CC=CC=C5C4)C#N

InChI

InChI=1S/C26H24N4O2S3/c27-13-22-25(33-16-23(31)29-11-9-18-5-1-3-7-20(18)14-29)28-35-26(22)34-17-24(32)30-12-10-19-6-2-4-8-21(19)15-30/h1-8H,9-12,14-17H2