4-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)-1,3-thiazol-4-yl]benzenecarbonitrile

Systemtic Name: 4-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)-1,3-thiazol-4-yl]benzenecarbonitrile Openeye Name: 4-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)thiazol-4-yl]benzonitrile CAS Name: 4-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)-4-thiazolyl]benzonitrile IUPAC Name: 4-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)-1,3-thiazol-4-yl]benzonitrile Traditional Name: 4-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)thiazol-4-yl]benzonitrile Formula: C16H16N4S MolecularWeight: 296.39004

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NC2=NC(=CS2)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCC(=NCC1)NC2=NC(=CS2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H16N4S/c17-10-12-5-7-13(8-6-12)14-11-21-16(19-14)20-15-4-2-1-3-9-18-15/h5-8,11H,1-4,9H2,(H,18,19,20)