2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-bromanyl-4-methyl-phenyl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-bromanyl-4-methyl-phenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-bromo-4-methyl-phenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(3-bromo-4-methylphenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-bromo-4-methylphenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(3-bromo-4-methyl-phenyl)acrylonitrile Formula: C17H11BrN2S2 MolecularWeight: 387.31664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)Br

InChI

InChI=1S/C17H11BrN2S2/c1-11-6-7-12(9-14(11)18)8-13(10-19)21-17-20-15-4-2-3-5-16(15)22-17/h2-9H,1H3