2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3,3-bis(ethylsulfanyl)prop-2-enenitrile

Systemtic Name: 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3,3-bis(ethylsulfanyl)prop-2-enenitrile Openeye Name: 2-[4-(4-bromophenyl)thiazol-2-yl]-3,3-bis(ethylsulfanyl)prop-2-enenitrile CAS Name: 2-[4-(4-bromophenyl)-2-thiazolyl]-3,3-bis(ethylthio)-2-propenenitrile IUPAC Name: 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3,3-bis(ethylsulfanyl)prop-2-enenitrile Traditional Name: 2-[4-(4-bromophenyl)thiazol-2-yl]-3,3-bis(ethylthio)acrylonitrile Formula: C16H15BrN2S3 MolecularWeight: 411.4027

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=C(C#N)C1=NC(=CS1)C2=CC=C(C=C2)Br)SCC

Isomeric SMILES

CCSC(=C(C#N)C1=NC(=CS1)C2=CC=C(C=C2)Br)SCC

InChI

InChI=1S/C16H15BrN2S3/c1-3-20-16(21-4-2)13(9-18)15-19-14(10-22-15)11-5-7-12(17)8-6-11/h5-8,10H,3-4H2,1-2H3