1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]azetidine-3-carbonitrile

Systemtic Name: 1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]azetidine-3-carbonitrile Openeye Name: 1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]azetidine-3-carbonitrile CAS Name: 1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]-2-pyrazinyl]-3-azetidinecarbonitrile IUPAC Name: 1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]azetidine-3-carbonitrile Traditional Name: 1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]azetidine-3-carbonitrile Formula: C21H16N6OS MolecularWeight: 400.45634

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1C2=NC=CN=C2OC3=CC=C(C=C3)NC4=NC5=CC=CC=C5S4)C#N

Isomeric SMILES

C1C(CN1C2=NC=CN=C2OC3=CC=C(C=C3)NC4=NC5=CC=CC=C5S4)C#N

InChI

InChI=1S/C21H16N6OS/c22-11-14-12-27(13-14)19-20(24-10-9-23-19)28-16-7-5-15(6-8-16)25-21-26-17-3-1-2-4-18(17)29-21/h1-10,14H,12-13H2,(H,25,26)