(E)-2-(1,3-benzothiazol-2-yl)-3-[5-(4-methylphenyl)sulfonylfuran-2-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[5-(4-methylphenyl)sulfonylfuran-2-yl]prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[5-(p-tolylsulfonyl)-2-furyl]prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[5-(4-methylphenyl)sulfonyl-2-furanyl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[5-(4-methylphenyl)sulfonylfuran-2-yl]prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(5-tosyl-2-furyl)acrylonitrile Formula: C21H14N2O3S2 MolecularWeight: 406.47746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(O2)C=C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(O2)/C=C(\C#N)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H14N2O3S2/c1-14-6-9-17(10-7-14)28(24,25)20-11-8-16(26-20)12-15(13-22)21-23-18-4-2-3-5-19(18)27-21/h2-12H,1H3/b15-12+