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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-bromanyl-4-methoxy-phenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-bromo-4-methoxy-phenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(3-bromo-4-methoxyphenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-bromo-4-methoxyphenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(3-bromo-4-methoxy-phenyl)acrylonitrile Formula: C17H11BrN2OS2 MolecularWeight: 403.31604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)Br

InChI

InChI=1S/C17H11BrN2OS2/c1-21-15-7-6-11(9-13(15)18)8-12(10-19)22-17-20-14-4-2-3-5-16(14)23-17/h2-9H,1H3