(2Z)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-propanenitrile

Systemtic Name: (2Z)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-propanenitrile Openeye Name: (2Z)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-propanenitrile CAS Name: (2Z)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxopropanenitrile IUPAC Name: (2Z)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxopropanenitrile Traditional Name: (2Z)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)propionitrile Formula: C26H22N4O3S MolecularWeight: 470.54288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2NC1=C(C#N)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CN\1C2=CC=CC=C2N/C1=C(\C#N)/C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H22N4O3S/c1-29-24-9-5-4-8-23(24)28-26(29)22(16-27)25(31)19-10-12-21(13-11-19)34(32,33)30-15-14-18-6-2-3-7-20(18)17-30/h2-13,28H,14-15,17H2,1H3/b26-22-