(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(4-bromophenyl)sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(4-bromophenyl)sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(4-bromophenyl)sulfanyl-3-oxo-butanenitrile CAS Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[(4-bromophenyl)thio]-3-oxobutanenitrile IUPAC Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(4-bromophenyl)sulfanyl-3-oxobutanenitrile Traditional Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[(4-bromophenyl)thio]-3-keto-butyronitrile Formula: C17H11BrN2OS2 MolecularWeight: 403.31604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C#N)C(=O)CSC3=CC=C(C=C3)Br)S2

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C(/C#N)\C(=O)CSC3=CC=C(C=C3)Br)/S2

InChI

InChI=1S/C17H11BrN2OS2/c18-11-5-7-12(8-6-11)22-10-15(21)13(9-19)17-20-14-3-1-2-4-16(14)23-17/h1-8,20H,10H2/b17-13+