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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(3-bromanyl-4-methyl-phenyl)furan-2-yl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(3-bromo-4-methyl-phenyl)-2-furyl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[5-(3-bromo-4-methylphenyl)-2-furanyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(3-bromo-4-methylphenyl)furan-2-yl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-[5-(3-bromo-4-methyl-phenyl)-2-furyl]acrylonitrile Formula: C21H13BrN2OS2 MolecularWeight: 453.37472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C=C(C#N)SC3=NC4=CC=CC=C4S3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C=C(C#N)SC3=NC4=CC=CC=C4S3)Br

InChI

InChI=1S/C21H13BrN2OS2/c1-13-6-7-14(10-17(13)22)19-9-8-15(25-19)11-16(12-23)26-21-24-18-4-2-3-5-20(18)27-21/h2-11H,1H3