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

Systemtic Name: (2E)-2-(azepan-2-yl)-2-(3H-1,3-benzothiazol-2-ylidene)ethanenitrile Openeye Name: (2E)-2-(azepan-2-yl)-2-(3H-1,3-benzothiazol-2-ylidene)acetonitrile CAS Name: (2E)-2-(2-azepanyl)-2-(3H-1,3-benzothiazol-2-ylidene)acetonitrile IUPAC Name: (2E)-2-(azepan-2-yl)-2-(3H-1,3-benzothiazol-2-ylidene)acetonitrile Traditional Name: (2E)-2-(azepan-2-yl)-2-(3H-1,3-benzothiazol-2-ylidene)acetonitrile Formula: C15H17N3S MolecularWeight: 271.38058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(NCC1)C(=C2NC3=CC=CC=C3S2)C#N

Isomeric SMILES

C1CCC(NCC1)/C(=C\2/NC3=CC=CC=C3S2)/C#N

InChI

InChI=1S/C15H17N3S/c16-10-11(12-6-2-1-5-9-17-12)15-18-13-7-3-4-8-14(13)19-15/h3-4,7-8,12,17-18H,1-2,5-6,9H2/b15-11-