(E)-2-(1,3-benzothiazol-2-yl)-3-[5-(4-bromophenyl)-1-methyl-pyrrol-2-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[5-(4-bromophenyl)-1-methyl-pyrrol-2-yl]prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[5-(4-bromophenyl)-1-methyl-pyrrol-2-yl]prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[5-(4-bromophenyl)-1-methyl-2-pyrrolyl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[5-(4-bromophenyl)-1-methylpyrrol-2-yl]prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[5-(4-bromophenyl)-1-methyl-pyrrol-2-yl]acrylonitrile Formula: C21H14BrN3S MolecularWeight: 420.32496

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C2=CC=C(C=C2)Br)C=C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C(=CC=C1C2=CC=C(C=C2)Br)/C=C(\C#N)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H14BrN3S/c1-25-17(10-11-19(25)14-6-8-16(22)9-7-14)12-15(13-23)21-24-18-4-2-3-5-20(18)26-21/h2-12H,1H3/b15-12+