3-[2-azanyl-2-(1,3-benzothiazol-2-yl)ethyl]benzenecarbonitrile

Systemtic Name: 3-[2-azanyl-2-(1,3-benzothiazol-2-yl)ethyl]benzenecarbonitrile Openeye Name: 3-[2-amino-2-(1,3-benzothiazol-2-yl)ethyl]benzonitrile CAS Name: 3-[2-amino-2-(1,3-benzothiazol-2-yl)ethyl]benzonitrile IUPAC Name: 3-[2-amino-2-(1,3-benzothiazol-2-yl)ethyl]benzonitrile Traditional Name: 3-[2-amino-2-(1,3-benzothiazol-2-yl)ethyl]benzonitrile Formula: C16H13N3S MolecularWeight: 279.35952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(CC3=CC=CC(=C3)C#N)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(CC3=CC=CC(=C3)C#N)N

InChI

InChI=1S/C16H13N3S/c17-10-12-5-3-4-11(8-12)9-13(18)16-19-14-6-1-2-7-15(14)20-16/h1-8,13H,9,18H2