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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[3-bromanyl-4-(dimethylamino)phenyl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[3-bromo-4-(dimethylamino)phenyl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[3-bromo-4-(dimethylamino)phenyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[3-bromo-4-(dimethylamino)phenyl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-[3-bromo-4-(dimethylamino)phenyl]acrylonitrile Formula: C18H14BrN3S2 MolecularWeight: 416.35786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN3S2/c1-22(2)16-8-7-12(10-14(16)19)9-13(11-20)23-18-21-15-5-3-4-6-17(15)24-18/h3-10H,1-2H3