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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(O2)C3=NC4=CC=CC=C4S3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H14N2O3S2/c1-14-6-9-16(10-7-14)28(24,25)17(13-22)12-15-8-11-19(26-15)21-23-18-4-2-3-5-20(18)27-21/h2-12H,1H3/b17-12+