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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[3,5-bis(bromanyl)-4-methyl-phenyl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3,5-dibromo-4-methyl-phenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(3,5-dibromo-4-methylphenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3,5-dibromo-4-methylphenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(3,5-dibromo-4-methyl-phenyl)acrylonitrile Formula: C17H10Br2N2S2 MolecularWeight: 466.2127

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1Br)C=C(C#N)SC2=NC3=CC=CC=C3S2)Br

Isomeric SMILES

CC1=C(C=C(C=C1Br)C=C(C#N)SC2=NC3=CC=CC=C3S2)Br

InChI

InChI=1S/C17H10Br2N2S2/c1-10-13(18)7-11(8-14(10)19)6-12(9-20)22-17-21-15-4-2-3-5-16(15)23-17/h2-8H,1H3