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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-(3-bromanyl-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-(3-bromo-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[1-(3-bromo-4-methylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-(3-bromo-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-[1-(3-bromo-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]acrylonitrile Formula: C23H18BrN3S2 MolecularWeight: 480.44312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C=C(C#N)SC3=NC4=CC=CC=C4S3)C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C=C(C#N)SC3=NC4=CC=CC=C4S3)C)Br

InChI

InChI=1S/C23H18BrN3S2/c1-14-8-9-18(12-20(14)24)27-15(2)10-17(16(27)3)11-19(13-25)28-23-26-21-6-4-5-7-22(21)29-23/h4-12H,1-3H3