(E)-2-(1,3-benzothiazol-2-yl)-5-(4-bromophenyl)-3-oxidanylidene-pent-4-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-5-(4-bromophenyl)-3-oxidanylidene-pent-4-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-5-(4-bromophenyl)-3-oxo-pent-4-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-5-(4-bromophenyl)-3-oxo-4-pentenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-5-(4-bromophenyl)-3-oxopent-4-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-5-(4-bromophenyl)-3-keto-pent-4-enenitrile Formula: C18H11BrN2OS MolecularWeight: 383.26174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C#N)C(=O)C=CC3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H11BrN2OS/c19-13-8-5-12(6-9-13)7-10-16(22)14(11-20)18-21-15-3-1-2-4-17(15)23-18/h1-10,14H/b10-7+