(2Z)-2-(azepan-2-ylidene)-2-(1,3-benzothiazol-2-yl)ethanenitrile

Systemtic Name: (2Z)-2-(azepan-2-ylidene)-2-(1,3-benzothiazol-2-yl)ethanenitrile Openeye Name: (2Z)-2-(azepan-2-ylidene)-2-(1,3-benzothiazol-2-yl)acetonitrile CAS Name: (2Z)-2-(2-azepanylidene)-2-(1,3-benzothiazol-2-yl)acetonitrile IUPAC Name: (2Z)-2-(azepan-2-ylidene)-2-(1,3-benzothiazol-2-yl)acetonitrile Traditional Name: (2Z)-2-(azepan-2-ylidene)-2-(1,3-benzothiazol-2-yl)acetonitrile Formula: C15H15N3S MolecularWeight: 269.3647

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C#N)C2=NC3=CC=CC=C3S2)NCC1

Isomeric SMILES

C1CC/C(=C(\C#N)/C2=NC3=CC=CC=C3S2)/NCC1

InChI

InChI=1S/C15H15N3S/c16-10-11(12-6-2-1-5-9-17-12)15-18-13-7-3-4-8-14(13)19-15/h3-4,7-8,17H,1-2,5-6,9H2/b12-11-