5-[[2-[[(1S)-1-cyclohexylethyl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carbonitrile

Systemtic Name: 5-[[2-[[(1S)-1-cyclohexylethyl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carbonitrile Openeye Name: 5-[[2-[[(1S)-1-cyclohexylethyl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carbonitrile CAS Name: 5-[[2-[[(1S)-1-cyclohexylethyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinecarbonitrile IUPAC Name: 5-[[2-[[(1S)-1-cyclohexylethyl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carbonitrile Traditional Name: 5-[[2-[[(1S)-1-cyclohexylethyl]amino]-1,3-benzothiazol-6-yl]oxy]picolinonitrile Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC2=NC3=C(S2)C=C(C=C3)OC4=CN=C(C=C4)C#N

Isomeric SMILES

C[C@@H](C1CCCCC1)NC2=NC3=C(S2)C=C(C=C3)OC4=CN=C(C=C4)C#N

InChI

InChI=1S/C21H22N4OS/c1-14(15-5-3-2-4-6-15)24-21-25-19-10-9-17(11-20(19)27-21)26-18-8-7-16(12-22)23-13-18/h7-11,13-15H,2-6H2,1H3,(H,24,25)/t14-/m0/s1