2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(4-bromophenyl)furan-2-yl]prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(4-bromophenyl)furan-2-yl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(4-bromophenyl)-2-furyl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[5-(4-bromophenyl)-2-furanyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(4-bromophenyl)furan-2-yl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-[5-(4-bromophenyl)-2-furyl]acrylonitrile Formula: C20H11BrN2OS2 MolecularWeight: 439.34814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC(=CC3=CC=C(O3)C4=CC=C(C=C4)Br)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC(=CC3=CC=C(O3)C4=CC=C(C=C4)Br)C#N

InChI

InChI=1S/C20H11BrN2OS2/c21-14-7-5-13(6-8-14)18-10-9-15(24-18)11-16(12-22)25-20-23-17-3-1-2-4-19(17)26-20/h1-11H