2-(1,3-benzothiazol-2-yl)-2-[2-(2H-1,2,3,4-tetrazol-5-ylmethylamino)pyrimidin-4-yl]ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(2H-1,2,3,4-tetrazol-5-ylmethylamino)pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(2H-tetrazol-5-ylmethylamino)pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(2H-tetrazol-5-ylmethylamino)-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(2H-tetrazol-5-ylmethylamino)pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(2H-tetrazol-5-ylmethylamino)pyrimidin-4-yl]acetonitrile Formula: C15H11N9S MolecularWeight: 349.37314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCC4=NNN=N4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCC4=NNN=N4

InChI

InChI=1S/C15H11N9S/c16-7-9(14-19-11-3-1-2-4-12(11)25-14)10-5-6-17-15(20-10)18-8-13-21-23-24-22-13/h1-6,9H,8H2,(H,17,18,20)(H,21,22,23,24)