(2Z)-2-(azepan-2-ylidene)-2-(4-phenyl-1,3-thiazol-2-yl)ethanenitrile

Systemtic Name: (2Z)-2-(azepan-2-ylidene)-2-(4-phenyl-1,3-thiazol-2-yl)ethanenitrile Openeye Name: (2Z)-2-(azepan-2-ylidene)-2-(4-phenylthiazol-2-yl)acetonitrile CAS Name: (2Z)-2-(2-azepanylidene)-2-(4-phenyl-2-thiazolyl)acetonitrile IUPAC Name: (2Z)-2-(azepan-2-ylidene)-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile Traditional Name: (2Z)-2-(azepan-2-ylidene)-2-(4-phenylthiazol-2-yl)acetonitrile Formula: C17H17N3S MolecularWeight: 295.40198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C#N)C2=NC(=CS2)C3=CC=CC=C3)NCC1

Isomeric SMILES

C1CC/C(=C(\C#N)/C2=NC(=CS2)C3=CC=CC=C3)/NCC1

InChI

InChI=1S/C17H17N3S/c18-11-14(15-9-5-2-6-10-19-15)17-20-16(12-21-17)13-7-3-1-4-8-13/h1,3-4,7-8,12,19H,2,5-6,9-10H2/b15-14-