2-[4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]phenyl]ethanenitrile

Systemtic Name: 2-[4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]phenyl]ethanenitrile Openeye Name: 2-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]acetonitrile CAS Name: 2-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]acetonitrile IUPAC Name: 2-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]acetonitrile Traditional Name: 2-[4-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]phenyl]acetonitrile Formula: C15H11N3O2S MolecularWeight: 297.33174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C15H11N3O2S/c16-10-9-11-5-7-12(8-6-11)17-15-13-3-1-2-4-14(13)21(19,20)18-15/h1-8H,9H2,(H,17,18)