2-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-phenylphenyl)ethylamino]-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]acetonitrile Formula: C27H21N5S MolecularWeight: 447.55414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CCNC3=NC=CC(=N3)C(C#N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CCNC3=NC=CC(=N3)C(C#N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H21N5S/c28-18-22(26-31-24-8-4-5-9-25(24)33-26)23-15-17-30-27(32-23)29-16-14-19-10-12-21(13-11-19)20-6-2-1-3-7-20/h1-13,15,17,22H,14,16H2,(H,29,30,32)